Element = Lattice = Model = Element: Be
Lattice: hcp
Model: Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000
Computed model cutoff of 2.6849999460578244 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: -14.467711
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.292944344878199, total energy = -14.467711190336395

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: -14.467711
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.292944339755922, total energy = -14.467711190336395

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: -14.467711
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.2929443437606096, total energy = -14.467711190336397

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: -14.467711
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.2929443397559264, total energy = -14.467711190336399

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: -14.467711
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.292944347718732, total energy = -14.467711190336395

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: -14.467711
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.2929443341679887, total energy = -14.467711190336395

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: -14.467711
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.2929443398490554, total energy = -14.467711190336395

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: -14.467711
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.292944341432303, total energy = -14.467711190336397

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: -14.467711
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.2929443426430236, total energy = -14.467711190336393

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: -14.467711
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 2.292944344505668, total energy = -14.467711190336393

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: -14.467711
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.2929443393368274, total energy = -14.467711190336397

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: -14.467711
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.2929443395114504, total energy = -14.467711190336399

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: -14.467711
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.292944345390424, total energy = -14.467711190336397

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: -14.467711
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.2929443431086836, total energy = -14.467711190336395

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: -14.467711
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.2929443368106144, total energy = -14.467711190336397

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 = [2.29294434] Angstroms and c = 2.9954899418692738 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.495592
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.328822726444926, c = 3.627624633054826, total energy = -14.495592431736467

Attempting to perform relaxation using initial lattice constant guess of a = [2.29294434] Angstroms and c = 3.1827080632361033 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.495592
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.3288227472276937, c = 3.627624602476687, total energy = -14.495592431736464

Attempting to perform relaxation using initial lattice constant guess of a = [2.29294434] Angstroms and c = 3.369926184602933 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.495592
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.3288227342145498, c = 3.6276246328153032, total energy = -14.495592431736467

Attempting to perform relaxation using initial lattice constant guess of a = [2.29294434] Angstroms and c = 3.5571443059697625 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.495592
         Iterations: 62
         Function evaluations: 135
Results for this minimization:
  a = 2.328822728721296, c = 3.627624639918775, total energy = -14.495592431736467

Attempting to perform relaxation using initial lattice constant guess of a = [2.29294434] Angstroms and c = 3.744362427336592 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.495592
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.328822735137927, c = 3.6276246378546055, total energy = -14.495592431736469

Attempting to perform relaxation using initial lattice constant guess of a = [2.29294434] Angstroms and c = 3.9315805487034217 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.495592
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.3288227385221156, c = 3.6276246416280697, total energy = -14.495592431736467

Attempting to perform relaxation using initial lattice constant guess of a = [2.29294434] Angstroms and c = 4.118798670070252 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.495592
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.328822726437792, c = 3.627624666615163, total energy = -14.495592431736467

Attempting to perform relaxation using initial lattice constant guess of a = [2.29294434] Angstroms and c = 4.306016791437081 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.495592
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.3288227328094333, c = 3.6276246606268847, total energy = -14.495592431736465

Attempting to perform relaxation using initial lattice constant guess of a = [2.29294434] Angstroms and c = 4.49323491280391 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.495592
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.3288227355698545, c = 3.627624616779813, total energy = -14.495592431736467

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

 Final lattice Constants:
   a = 2.328822735137927 Angstroms, c = 3.6276246378546055 Angstroms, c/a = 1.557707

 Total energy: -14.495592431736469 eV

 Cohesive energy: -3.6238981079341173 eV/atom

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