Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_NN_Johnson_1988_Cu__MO_887933271505_002
Computed model cutoff of 3.5000000070035564 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.2999999999999994 Angstroms and c = 0.4898979485566346 Angstroms; the model cutoff was estimated to be 3.5000000070035564 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.33749999999999813 Angstroms and c = 0.551135192126212 Angstroms; the model cutoff was estimated to be 3.5000000070035564 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.125 Angstroms and c = -0.2041241452319315 Angstroms; the model cutoff was estimated to be 3.5000000070035564 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 55
         Function evaluations: 111
Results for this minimization:
  a = 2.4748737341491562, total energy = -14.664582632354143

Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5559999942081073, total energy = -14.160000000000016

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 56
         Function evaluations: 113
Results for this minimization:
  a = 2.4748737341520606, total energy = -14.66458263236525

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 47
         Function evaluations: 95
Results for this minimization:
  a = 2.4748737341316875, total energy = -14.664582632287443

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 52
         Function evaluations: 105
Results for this minimization:
  a = 2.474873734128778, total energy = -14.664582632276273

Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5560000071302067, total energy = -14.160000000000016

Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 51
         Function evaluations: 103
Results for this minimization:
  a = 2.4748737341287796, total energy = -14.664582632276293

Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5560000032186503, total energy = -14.160000000000007

Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.556000004790258, total energy = -14.160000000000016

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.556000005453825, total energy = -14.160000000000023

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.556000012595906, total energy = -14.160000000000018

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.555999994464219, total energy = -14.16000000000001

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 55
         Function evaluations: 112
Results for this minimization:
  a = 2.4748737341389653, total energy = -14.664582632315204

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5559999853372553, total energy = -14.160000000000007

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.556000011973083, total energy = -14.160000000000018

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 54
         Function evaluations: 109
Results for this minimization:
  a = 2.474873734152059, total energy = -14.664582632365255

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 55
         Function evaluations: 111
Results for this minimization:
  a = 2.4748737341331406, total energy = -14.664582632292914

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 48
         Function evaluations: 97
Results for this minimization:
  a = 2.4748737341316867, total energy = -14.664582632287422

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 54
         Function evaluations: 109
Results for this minimization:
  a = 2.474873734149148, total energy = -14.664582632354115

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.47487373] Angstroms and c = 3.233161507460784 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 150
         Function evaluations: 286
Results for this minimization:
  a = 2.4748737228978346, c = 4.041451921086292, total energy = -14.66458263236851

Attempting to perform relaxation using initial lattice constant guess of a = [2.47487373] Angstroms and c = 3.435234101677083 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.083724
         Iterations: 213
         Function evaluations: 433
Results for this minimization:
  a = 2.624999999962352, c = 3.4999999999296794, total energy = -14.08372376670717

Attempting to perform relaxation using initial lattice constant guess of a = [2.47487373] Angstroms and c = 3.637306695893382 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 146
         Function evaluations: 276
Results for this minimization:
  a = 2.4748737411413866, c = 4.041451861503077, total energy = -14.66458263236851

Attempting to perform relaxation using initial lattice constant guess of a = [2.47487373] Angstroms and c = 3.8393792901096813 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.664461
         Iterations: 88
         Function evaluations: 177
Results for this minimization:
  a = 2.4768342152456775, c = 4.0350413596498615, total energy = -14.664460833360286

Attempting to perform relaxation using initial lattice constant guess of a = [2.47487373] Angstroms and c = 4.04145188432598 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.664583
         Iterations: 47
         Function evaluations: 167
Results for this minimization:
  a = 2.474873734152961, c = 4.041451884325975, total energy = -14.66458263236753

Attempting to perform relaxation using initial lattice constant guess of a = [2.47487373] Angstroms and c = 4.243524478542279 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.5559999953521295, c = 4.173930542514839, total energy = -14.160000000000025

Attempting to perform relaxation using initial lattice constant guess of a = [2.47487373] Angstroms and c = 4.445597072758579 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.555999986220784, c = 4.173930529142852, total energy = -14.160000000000021

Attempting to perform relaxation using initial lattice constant guess of a = [2.47487373] Angstroms and c = 4.647669666974878 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.555999998654894, c = 4.173930574226605, total energy = -14.160000000000023

Attempting to perform relaxation using initial lattice constant guess of a = [2.47487373] Angstroms and c = 4.849742261191176 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.160000
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.5560000151593374, c = 4.1739304929732, total energy = -14.160000000000016

==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = 2.4748737228978346 Angstroms, c = 4.041451921086292 Angstroms, c/a = 1.632993

 Total energy: -14.66458263236851 eV

 Cohesive energy: -3.6661456580921277 eV/atom

==============================================================================
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