Element = Lattice = Model = Element: Be
Lattice: hcp
Model: MEAM_LAMMPS_WeiZhouLi_2019_BeO__MO_344044439515_000
Computed model cutoff of 5.500000007003557 Angstroms
Computed isolated atomic energy of 0.0 eV for species Be

==============================================================================
==============================================================================
 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: -13.655974
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.283296633139256, total energy = -13.655974191438606

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: -13.655974
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.2832966040296, total energy = -13.655974191438629

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: -13.655974
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.2832966218702495, total energy = -13.65597419143861

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: -13.655974
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.2832966193556827, total energy = -13.655974191438583

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: -13.655974
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.2832966252462956, total energy = -13.655974191438627

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: -13.655974
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.2832966383546607, total energy = -13.655974191438602

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: -13.655974
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.283296637237072, total energy = -13.65597419143859

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: -13.655974
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.283296613721177, total energy = -13.65597419143863

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: -13.655974
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.283296635560692, total energy = -13.655974191438602

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: -13.655974
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.2832966315210803, total energy = -13.65597419143861

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: -13.655974
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.283296613721177, total energy = -13.655974191438645

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: -13.655974
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.2832966468879023, total energy = -13.655974191438636

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: -13.655974
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.2832966218702495, total energy = -13.655974191438604

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: -13.655974
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.2832966378278794, total energy = -13.655974191438602

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: -13.655974
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.2832966357469555, total energy = -13.655974191438602

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: -13.655974
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.2832966227753775, total energy = -13.655974191438641

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: -13.655974
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.28329660464078, total energy = -13.65597419143862

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: -13.655974
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.283296622845228, total energy = -13.655974191438656

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: -13.655974
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.283296638505998, total energy = -13.6559741914386

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: -13.655974
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.283296613092533, total energy = -13.655974191438611

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: -13.655974
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.2832966399262653, total energy = -13.655974191438625

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: -13.655974
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.2832966427551553, total energy = -13.655974191438602

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: -13.655974
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.2832966186106205, total energy = -13.655974191438599

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: -13.655974
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.2832966252492, total energy = -13.655974191438618

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: -13.655974
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.283296629600226, total energy = -13.655974191438602

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: -13.655974
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.283296609879473, total energy = -13.655974191438597

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: -13.655974
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.2832966400310366, total energy = -13.655974191438604

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: -13.655974
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.28329663418117, total energy = -13.655974191438622

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: -13.655974
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.2832966422720298, total energy = -13.655974191438617

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: -13.655974
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.283296640106708, total energy = -13.655974191438622

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: -13.655974
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.2832966228888854, total energy = -13.655974191438634

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: -13.655974
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.283296646943196, total energy = -13.655974191438641

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: -13.655974
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.2832966229179874, total energy = -13.655974191438636

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: -13.655974
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.283296637714369, total energy = -13.655974191438599

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.655974
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.2832966400892456, total energy = -13.655974191438638

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.655974
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.283296634072033, total energy = -13.65597419143862

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.655974
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.283296637731833, total energy = -13.655974191438615

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.655974
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.2832966310088523, total energy = -13.655974191438624

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.28329662] Angstroms and c = 2.9828862172751234 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.658130
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.2914159951248694, c = 3.7024497601117803, total energy = -13.658130252226016

Attempting to perform relaxation using initial lattice constant guess of a = [2.28329662] Angstroms and c = 3.1693166058548186 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.658130
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.291416012151613, c = 3.7024498492669773, total energy = -13.65813025222599

Attempting to perform relaxation using initial lattice constant guess of a = [2.28329662] Angstroms and c = 3.3557469944345137 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.658130
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.2914159905067497, c = 3.7024499017015486, total energy = -13.658130252225984

Attempting to perform relaxation using initial lattice constant guess of a = [2.28329662] Angstroms and c = 3.542177383014209 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.658130
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.2914159641422054, c = 3.7024497350273133, total energy = -13.658130252225977

Attempting to perform relaxation using initial lattice constant guess of a = [2.28329662] Angstroms and c = 3.728607771593904 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.658130
         Iterations: 63
         Function evaluations: 136
Results for this minimization:
  a = 2.291415969673991, c = 3.7024496934835613, total energy = -13.65813025222597

Attempting to perform relaxation using initial lattice constant guess of a = [2.28329662] Angstroms and c = 3.9150381601735993 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.658130
         Iterations: 68
         Function evaluations: 153
Results for this minimization:
  a = 2.291415942179712, c = 3.702449775718913, total energy = -13.658130252225982

Attempting to perform relaxation using initial lattice constant guess of a = [2.28329662] Angstroms and c = 4.101468548753294 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.658130
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.2914159711653257, c = 3.702449763750067, total energy = -13.65813025222602

Attempting to perform relaxation using initial lattice constant guess of a = [2.28329662] Angstroms and c = 4.28789893733299 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.658130
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.2914159468257607, c = 3.7024497755264627, total energy = -13.658130252225968

Attempting to perform relaxation using initial lattice constant guess of a = [2.28329662] Angstroms and c = 4.474329325912684 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.658130
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.291415997046704, c = 3.702449751419697, total energy = -13.65813025222598

Attempting to perform relaxation using initial lattice constant guess of a = [2.28329662] Angstroms and c = 4.6607597144923805 = ([2.04124145] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.658130
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.29141595481435, c = 3.7024498276870395, total energy = -13.658130252225998

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

 Final lattice Constants:
   a = 2.2914159711653257 Angstroms, c = 3.702449763750067 Angstroms, c/a = 1.615791

 Total energy: -13.65813025222602 eV

 Cohesive energy: -3.414532563056505 eV/atom

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