Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_000
Computed model cutoff of 5.000000004544876 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))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5558984577655837, total energy = -14.129948552865086

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

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.555898460024036, total energy = -14.129948552865088

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

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.55589846521616, total energy = -14.129948552865086

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: -14.129949
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5558984679170007, total energy = -14.129948552865084

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: -14.129949
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5558984684757915, total energy = -14.129948552865086

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: -14.129949
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5558984557166706, total energy = -14.129948552865088

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: -14.129949
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.555898451805116, total energy = -14.129948552865086

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: -14.129949
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5558984614908695, total energy = -14.129948552865086

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: -14.129949
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5558984570205237, total energy = -14.129948552865088

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: -14.129949
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5558984614908704, total energy = -14.129948552865084

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: -14.129949
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.555898467777297, total energy = -14.129948552865086

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: -14.129949
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.555898462841287, total energy = -14.129948552865088

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: -14.129949
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.555898467078805, total energy = -14.129948552865086

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: -14.129949
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5558984575094663, total energy = -14.129948552865088

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: -14.129949
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.555898469197564, total energy = -14.129948552865084

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: -14.129949
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.55589847266674, total energy = -14.129948552865084

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: -14.129949
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5558984603732813, total energy = -14.129948552865086

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: -14.129949
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.55589846521616, total energy = -14.129948552865082

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: -14.129949
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.555898470245301, total energy = -14.129948552865084

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: -14.129949
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5558984637958924, total energy = -14.129948552865091

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: -14.129949
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5558984674513336, total energy = -14.129948552865086

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: -14.129949
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.555898457835425, total energy = -14.129948552865088

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5558984642848372, total energy = -14.129948552865084

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.55589845566428, total energy = -14.129948552865086

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5558984588831666, total energy = -14.129948552865086

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.555898464843632, total energy = -14.129948552865084

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.555898455157873, total energy = -14.129948552865088

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.555898462989717, total energy = -14.129948552865088

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5558984681963874, total energy = -14.129948552865086

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5558984700590353, total energy = -14.129948552865088

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.555898463726045, total energy = -14.129948552865086

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.5558984654024206, total energy = -14.129948552865088

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.55589846894145, total energy = -14.129948552865082

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.129949
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5558984514325807, total energy = -14.129948552865084

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55589846] Angstroms and c = 3.339011771020438 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.5516839646022627, c = 4.18759913103341, total energy = -14.130357694274727

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589846] Angstroms and c = 3.5477000067092153 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.5516839683310115, c = 4.187599158002399, total energy = -14.130357694274727

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589846] Angstroms and c = 3.7563882423979926 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.5516839566767358, c = 4.187599172825241, total energy = -14.130357694274727

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589846] Angstroms and c = 3.96507647808677 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.5516839680476857, c = 4.1875991716424315, total energy = -14.130357694274732

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589846] Angstroms and c = 4.173764713775547 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 63
         Function evaluations: 137
Results for this minimization:
  a = 2.5516839596188046, c = 4.187599196050085, total energy = -14.130357694274725

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589846] Angstroms and c = 4.382452949464325 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.5516839613203026, c = 4.187599128073844, total energy = -14.130357694274727

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589846] Angstroms and c = 4.591141185153102 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.5516839631245443, c = 4.187599176244817, total energy = -14.13035769427473

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589846] Angstroms and c = 4.7998294208418795 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 2.5516839629211545, c = 4.1875991507053145, total energy = -14.130357694274728

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589846] Angstroms and c = 5.008517656530657 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 2.5516839506235534, c = 4.187599170567839, total energy = -14.130357694274727

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

 Final lattice Constants:
   a = 2.5516839680476857 Angstroms, c = 4.1875991716424315 Angstroms, c/a = 1.641112

 Total energy: -14.130357694274732 eV

 Cohesive energy: -3.532589423568683 eV/atom

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