Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_001
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Al

==============================================================================
==============================================================================
 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: -13.273754
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.860557961463931, total energy = -13.27375432803929

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: -13.273754
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.860557946882909, total energy = -13.273754328039287

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: -13.273754
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.860557950101793, total energy = -13.273754328039288

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: -13.273754
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8605579484254187, total energy = -13.273754328039287

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: -13.273754
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8605579614639307, total energy = -13.273754328039283

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: -13.273754
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.860557960858571, total energy = -13.273754328039283

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: -13.273754
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8605579536408197, total energy = -13.273754328039285

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: -13.273754
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8605579547584057, total energy = -13.273754328039285

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: -13.273754
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8605579379946016, total energy = -13.273754328039283

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: -13.273754
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8605579689145095, total energy = -13.273754328039278

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: -13.273754
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8605579519644384, total energy = -13.273754328039285

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: -13.273754
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8605579508468493, total energy = -13.273754328039287

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: -13.273754
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8605579547584057, total energy = -13.273754328039287

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: -13.273754
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.860557953396346, total energy = -13.273754328039285

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: -13.273754
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8605579484254133, total energy = -13.273754328039285

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: -13.273754
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.8605579420924183, total energy = -13.273754328039281

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: -13.273754
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8605579613242296, total energy = -13.273754328039281

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: -13.273754
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8605579398572445, total energy = -13.273754328039283

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: -13.273754
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8605579384602606, total energy = -13.273754328039281

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: -13.273754
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8605579502880563, total energy = -13.273754328039285

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: -13.273754
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8605579510331145, total energy = -13.273754328039287

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: -13.273754
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.860557949542997, total energy = -13.273754328039285

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: -13.273754
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8605579379945993, total energy = -13.273754328039285

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: -13.273754
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8605579436989466, total energy = -13.273754328039287

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: -13.273754
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8605579569935786, total energy = -13.273754328039283

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: -13.273754
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8605579490656976, total energy = -13.273754328039285

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: -13.273754
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.860557943582532, total energy = -13.273754328039281

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: -13.273754
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.860557951236842, total energy = -13.273754328039283

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: -13.273754
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.860557956993576, total energy = -13.273754328039283

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: -13.273754
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8605579482158636, total energy = -13.273754328039287

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: -13.273754
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.860557954828256, total energy = -13.273754328039285

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: -13.273754
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8605579487513717, total energy = -13.273754328039283

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: -13.273754
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8605579504510388, total energy = -13.273754328039285

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: -13.273754
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8605579543858717, total energy = -13.273754328039283

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86055796] Angstroms and c = 3.7370172721294175 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279458
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.8417004537190382, c = 4.737700936129801, total energy = -13.279457701287209

Attempting to perform relaxation using initial lattice constant guess of a = [2.86055796] Angstroms and c = 3.9705808516375063 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279458
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.8417004671335917, c = 4.737700939439921, total energy = -13.27945770128721

Attempting to perform relaxation using initial lattice constant guess of a = [2.86055796] Angstroms and c = 4.204144431145595 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279458
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 2.8417004634026934, c = 4.737700985980848, total energy = -13.279457701287212

Attempting to perform relaxation using initial lattice constant guess of a = [2.86055796] Angstroms and c = 4.437708010653684 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279458
         Iterations: 72
         Function evaluations: 147
Results for this minimization:
  a = 2.8417004620852278, c = 4.737700938203364, total energy = -13.279457701287212

Attempting to perform relaxation using initial lattice constant guess of a = [2.86055796] Angstroms and c = 4.671271590161773 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279458
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.8417004649010327, c = 4.737700902360973, total energy = -13.279457701287209

Attempting to perform relaxation using initial lattice constant guess of a = [2.86055796] Angstroms and c = 4.9048351696698615 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279458
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.8417004695983596, c = 4.737701000154038, total energy = -13.279457701287205

Attempting to perform relaxation using initial lattice constant guess of a = [2.86055796] Angstroms and c = 5.13839874917795 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279458
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.841700471844158, c = 4.73770093573861, total energy = -13.27945770128721

Attempting to perform relaxation using initial lattice constant guess of a = [2.86055796] Angstroms and c = 5.371962328686039 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279458
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.8417004602923335, c = 4.737700949645288, total energy = -13.279457701287212

Attempting to perform relaxation using initial lattice constant guess of a = [2.86055796] Angstroms and c = 5.605525908194128 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279458
         Iterations: 81
         Function evaluations: 166
Results for this minimization:
  a = 2.841700454959047, c = 4.737700936526599, total energy = -13.279457701287207

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

 Final lattice Constants:
   a = 2.8417004634026934 Angstroms, c = 4.737700985980848 Angstroms, c/a = 1.667206

 Total energy: -13.279457701287212 eV

 Cohesive energy: -3.319864425321803 eV/atom

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