Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_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: -13.273756
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8605445422232183, total energy = -13.273755911449763

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: -13.273756
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.860544547624886, total energy = -13.273755911449765

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: -13.273756
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8605445390567183, total energy = -13.273755911449758

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: -13.273756
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8605445526540336, total energy = -13.273755911449763

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: -13.273756
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8605445504188562, total energy = -13.273755911449763

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: -13.273756
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8605445370078106, total energy = -13.273755911449761

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: -13.273756
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8605445683002477, total energy = -13.273755911449754

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: -13.273756
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.860544554889202, total energy = -13.27375591144976

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: -13.273756
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8605445511639145, total energy = -13.273755911449761

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: -13.273756
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8605445524677653, total energy = -13.27375591144976

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: -13.273756
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.860544545948506, total energy = -13.273755911449761

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: -13.273756
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8605445556342586, total energy = -13.273755911449758

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: -13.273756
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.860544547904283, total energy = -13.273755911449758

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: -13.273756
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8605445448309186, total energy = -13.27375591144976

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: -13.273756
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8605445588007576, total energy = -13.273755911449756

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: -13.273756
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.860544537194073, total energy = -13.273755911449754

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: -13.273756
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8605445550289006, total energy = -13.273755911449761

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: -13.273756
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8605445427820086, total energy = -13.273755911449761

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: -13.273756
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.860544546088203, total energy = -13.27375591144976

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: -13.273756
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8605445476248854, total energy = -13.273755911449758

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: -13.273756
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.860544555261731, total energy = -13.273755911449756

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: -13.273756
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.860544552723875, total energy = -13.27375591144976

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: -13.273756
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.860544554889202, total energy = -13.273755911449756

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: -13.273756
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8605445511639083, total energy = -13.273755911449758

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: -13.273756
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8605445533990848, total energy = -13.273755911449758

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: -13.273756
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8605445526540287, total energy = -13.273755911449758

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: -13.273756
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8605445461347685, total energy = -13.273755911449758

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: -13.273756
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8605445506982505, total energy = -13.273755911449758

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: -13.273756
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8605445493012627, total energy = -13.273755911449758

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: -13.273756
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8605445419670996, total energy = -13.273755911449758

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: -13.273756
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8605445556342612, total energy = -13.273755911449758

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: -13.273756
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8605445333756476, total energy = -13.273755911449754

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: -13.273756
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.860544539988041, total energy = -13.273755911449756

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: -13.273756
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8605445479042784, total energy = -13.273755911449758

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86054455] Angstroms and c = 3.7369997483634694 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279450
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.8417027486182875, c = 4.737621308869588, total energy = -13.279449583130138

Attempting to perform relaxation using initial lattice constant guess of a = [2.86054455] Angstroms and c = 3.970562232636186 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279450
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.8417027653337743, c = 4.737621281648325, total energy = -13.279449583130143

Attempting to perform relaxation using initial lattice constant guess of a = [2.86054455] Angstroms and c = 4.204124716908902 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279450
         Iterations: 74
         Function evaluations: 149
Results for this minimization:
  a = 2.8417027633612983, c = 4.737621241679294, total energy = -13.279449583130138

Attempting to perform relaxation using initial lattice constant guess of a = [2.86054455] Angstroms and c = 4.437687201181619 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279450
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.841702764198058, c = 4.73762127252621, total energy = -13.27944958313014

Attempting to perform relaxation using initial lattice constant guess of a = [2.86054455] Angstroms and c = 4.671249685454336 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279450
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.8417027653149685, c = 4.737621279228456, total energy = -13.279449583130143

Attempting to perform relaxation using initial lattice constant guess of a = [2.86054455] Angstroms and c = 4.904812169727053 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279450
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.84170276820106, c = 4.737621274349935, total energy = -13.27944958313014

Attempting to perform relaxation using initial lattice constant guess of a = [2.86054455] Angstroms and c = 5.138374653999769 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279450
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 2.84170277259052, c = 4.737621267759183, total energy = -13.27944958313014

Attempting to perform relaxation using initial lattice constant guess of a = [2.86054455] Angstroms and c = 5.371937138272486 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279450
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 2.841702750084419, c = 4.737621319330877, total energy = -13.279449583130141

Attempting to perform relaxation using initial lattice constant guess of a = [2.86054455] Angstroms and c = 5.605499622545203 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.279450
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.8417027473284713, c = 4.7376212868596035, total energy = -13.27944958313014

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

 Final lattice Constants:
   a = 2.8417027653337743 Angstroms, c = 4.737621281648325 Angstroms, c/a = 1.667177

 Total energy: -13.279449583130143 eV

 Cohesive energy: -3.3198623957825357 eV/atom

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