Element = Lattice = Model = Element: O
Lattice: hcp
Model: Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000
Computed model cutoff of 2.2999949739501244 Angstroms
Computed isolated atomic energy of 0.0 eV for species O

==============================================================================
==============================================================================
 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: -1.765844
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.1432945460081125, total energy = -1.7658439215116561

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: -1.765844
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.1432945496402684, total energy = -1.7658439215116606

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: -1.765844
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.143294549314305, total energy = -1.765843921511658

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: -1.765844
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.1432945492677438, total energy = -1.7658439215116595

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: -1.765844
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.1432945493608724, total energy = -1.7658439215116581

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: -1.765844
         Iterations: 37
         Function evaluations: 75
Results for this minimization:
  a = 2.1432945491280413, total energy = -1.7658439215116595

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: -1.765844
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.143294547032564, total energy = -1.7658439215116564

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: -1.765844
         Iterations: 34
         Function evaluations: 69
Results for this minimization:
  a = 2.143294549168786, total energy = -1.7658439215116597

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: -1.765844
         Iterations: 31
         Function evaluations: 62
Results for this minimization:
  a = 2.143294543866068, total energy = -1.7658439215116553

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: -1.765844
         Iterations: 31
         Function evaluations: 66
Results for this minimization:
  a = 2.1432945450302205, total energy = -1.7658439215116555

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: -1.765844
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.1432945491687865, total energy = -1.765843921511659

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: -1.765844
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.1432945493259474, total energy = -1.7658439215116593

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.5, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.625, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 2.7999882747236957 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.008763
         Iterations: 80
         Function evaluations: 160
Results for this minimization:
  a = 2.2997655268524935, c = 3.170973539582769, total energy = -2.0087634649139976

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 2.9749875418939267 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.008763
         Iterations: 79
         Function evaluations: 160
Results for this minimization:
  a = 2.2997655327630553, c = 3.1709735182863534, total energy = -2.008763464913997

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 3.1499868090641576 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.008763
         Iterations: 89
         Function evaluations: 179
Results for this minimization:
  a = 2.299765527425195, c = 3.1709735341762806, total energy = -2.0087634649139967

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 3.3249860762343886 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.008763
         Iterations: 83
         Function evaluations: 170
Results for this minimization:
  a = 2.2997655287629213, c = 3.170973537167953, total energy = -2.0087634649139976

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 3.4999853434046195 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.169491
         Iterations: 88
         Function evaluations: 199
Results for this minimization:
  a = 2.0586711741858874, c = 3.9994240433748205, total energy = -2.169490651141751

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 3.6749846105748505 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.169491
         Iterations: 82
         Function evaluations: 186
Results for this minimization:
  a = 2.058671173863575, c = 4.041484416532497, total energy = -2.169490651141751

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 3.8499838777450814 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.169491
         Iterations: 88
         Function evaluations: 214
Results for this minimization:
  a = 2.0586711791692704, c = 4.50348560080818, total energy = -2.1694906511417478

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 4.024983144915312 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.169491
         Iterations: 84
         Function evaluations: 189
Results for this minimization:
  a = 2.0586711758725063, c = 4.097927505727638, total energy = -2.169490651141749

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 4.199982412085543 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.169491
         Iterations: 89
         Function evaluations: 213
Results for this minimization:
  a = 2.058671174877656, c = 4.976877516349772, total energy = -2.1694906511417487