Element = Lattice = Model = Element: Co
Lattice: hcp
Model: MEAM_LAMMPS_OhSeolLee_2020_CoTi__MO_862371677648_000
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Co

==============================================================================
==============================================================================
 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: -17.636723
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5001621671021015, total energy = -17.636723132922352

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: -17.636723
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5001621598377826, total energy = -17.63672313292236

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: -17.636723
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.500162150710821, total energy = -17.636723132922356

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: -17.636723
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5001621601637503, total energy = -17.636723132922363

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: -17.636723
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5001621520146755, total energy = -17.636723132922356

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: -17.636723
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5001621624454873, total energy = -17.636723132922363

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: -17.636723
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5001621544361115, total energy = -17.636723132922356

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: -17.636723
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.500162163749337, total energy = -17.636723132922352

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: -17.636723
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5001621633768094, total energy = -17.636723132922352

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: -17.636723
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.500162165710936, total energy = -17.63672313292236

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: -17.636723
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.5001621582137896, total energy = -17.636723132922352

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: -17.636723
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.500162164622453, total energy = -17.63672313292236

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: -17.636723
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5001621581614017, total energy = -17.636723132922356

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: -17.636723
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.500162155088038, total energy = -17.636723132922352

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: -17.636723
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5001621514558785, total energy = -17.636723132922356

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: -17.636723
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.500162165000801, total energy = -17.63672313292236

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: -17.636723
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.500162155926227, total energy = -17.636723132922352

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: -17.636723
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.500162157230079, total energy = -17.636723132922356

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: -17.636723
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.500162166683003, total energy = -17.63672313292236

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: -17.636723
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5001621631905433, total energy = -17.63672313292235

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: -17.636723
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.500162153132259, total energy = -17.636723132922352

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: -17.636723
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5001621596515156, total energy = -17.636723132922356

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: -17.636723
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5001621686387807, total energy = -17.636723132922363

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: -17.636723
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.500162163912315, total energy = -17.636723132922363

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: -17.636723
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.500162172317504, total energy = -17.63672313292236

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: -17.636723
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.500162163749339, total energy = -17.636723132922352

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: -17.636723
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.500162152748086, total energy = -17.636723132922352

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: -17.636723
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.500162165844813, total energy = -17.636723132922356

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: -17.636723
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5001621631905397, total energy = -17.636723132922356

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: -17.636723
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5001621588133265, total energy = -17.636723132922356

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: -17.636723
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.500162164180076, total energy = -17.63672313292236

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: -17.636723
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.500162157602605, total energy = -17.63672313292236

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 3.266198168861728 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.50230888586911, c = 4.07571748685561, total energy = -17.63685597613737

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 3.470335554415586 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.502308888026765, c = 4.075717465707113, total energy = -17.63685597613738

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 3.674472939969444 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 69
         Function evaluations: 143
Results for this minimization:
  a = 2.502308887087734, c = 4.075717482254918, total energy = -17.636855976137372

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 3.8786103255233018 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.5023088802307667, c = 4.075717481348185, total energy = -17.636855976137376

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 4.082747711077159 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.5023088835364398, c = 4.075717462008568, total energy = -17.63685597613737

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 4.286885096631018 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.5023088826747046, c = 4.075717464890235, total energy = -17.63685597613737

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 4.491022482184876 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.502308879765126, c = 4.075717484362042, total energy = -17.636855976137372

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 4.695159867738734 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.5023088794437056, c = 4.075717493938784, total energy = -17.63685597613737

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 4.899297253292591 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.5023088862044105, c = 4.075717455083209, total energy = -17.63685597613737

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

 Final lattice Constants:
   a = 2.502308888026765 Angstroms, c = 4.075717465707113 Angstroms, c/a = 1.628783

 Total energy: -17.63685597613738 eV

 Cohesive energy: -4.409213994034345 eV/atom

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