Element = Lattice = Model = Element: Ag
Lattice: hcp
Model: MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_000
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ag

==============================================================================
==============================================================================
 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: -11.381388
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8805717173963825, total energy = -11.38138782578574

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: -11.381388
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8805717159528283, total energy = -11.381387825785739

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: -11.381388
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8805717220529914, total energy = -11.381387825785742

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: -11.381388
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8805717256851544, total energy = -11.381387825785742

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: -11.381388
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8805717211216715, total energy = -11.38138782578574

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: -11.381388
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8805717175244374, total energy = -11.381387825785742

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: -11.381388
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8805717080831528, total energy = -11.381387825785737

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: -11.381388
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8805717253126204, total energy = -11.381387825785744

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: -11.381388
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.880571723822507, total energy = -11.381387825785742

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: -11.381388
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8805717214010667, total energy = -11.38138782578574

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: -11.381388
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.880571725592018, total energy = -11.38138782578574

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: -11.381388
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.88057173466077, total energy = -11.38138782578574

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: -11.381388
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8805717153009027, total energy = -11.381387825785742

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: -11.381388
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8805717249109875, total energy = -11.381387825785742

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: -11.381388
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.88057172440458, total energy = -11.38138782578574

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: -11.381388
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8805717212031596, total energy = -11.381387825785744

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: -11.381388
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8805717322975397, total energy = -11.381387825785742

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: -11.381388
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.8805717278737575, total energy = -11.381387825785744

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: -11.381388
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8805717238807125, total energy = -11.381387825785742

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: -11.381388
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8805717272683973, total energy = -11.381387825785739

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: -11.381388
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8805717237293704, total energy = -11.381387825785742

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: -11.381388
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8805717237293704, total energy = -11.381387825785742

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: -11.381388
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8805717267096043, total energy = -11.381387825785742

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: -11.381388
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.880571722888269, total energy = -11.38138782578574

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: -11.381388
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8805717233568426, total energy = -11.381387825785742

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: -11.381388
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8805717236362405, total energy = -11.381387825785742

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: -11.381388
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.880571721401063, total energy = -11.38138782578574

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: -11.381388
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.880571721121669, total energy = -11.381387825785742

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: -11.381388
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8805717214010618, total energy = -11.38138782578574

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: -11.381388
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8805717175215246, total energy = -11.381387825785742

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: -11.381388
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8805717185139676, total energy = -11.38138782578574

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: -11.381388
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8805717188864914, total energy = -11.38138782578574

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: -11.381388
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8805717267096043, total energy = -11.381387825785744

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: -11.381388
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.880571723636235, total energy = -11.38138782578574

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.88057173] Angstroms and c = 3.7631631437357367 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.381565
         Iterations: 72
         Function evaluations: 147
Results for this minimization:
  a = 2.877250561152935, c = 4.714856844463531, total energy = -11.381564832609438

Attempting to perform relaxation using initial lattice constant guess of a = [2.88057173] Angstroms and c = 3.9983608402192203 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.381565
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.877250569784432, c = 4.714856796534548, total energy = -11.381564832609444

Attempting to perform relaxation using initial lattice constant guess of a = [2.88057173] Angstroms and c = 4.233558536702704 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.381565
         Iterations: 75
         Function evaluations: 152
Results for this minimization:
  a = 2.877250570776227, c = 4.714856778233292, total energy = -11.38156483260944

Attempting to perform relaxation using initial lattice constant guess of a = [2.88057173] Angstroms and c = 4.468756233186188 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.381565
         Iterations: 69
         Function evaluations: 140
Results for this minimization:
  a = 2.877250563285237, c = 4.714856820041658, total energy = -11.38156483260944

Attempting to perform relaxation using initial lattice constant guess of a = [2.88057173] Angstroms and c = 4.703953929669671 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.381565
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.877250571747962, c = 4.714856827424557, total energy = -11.38156483260944

Attempting to perform relaxation using initial lattice constant guess of a = [2.88057173] Angstroms and c = 4.939151626153155 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.381565
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 2.877250561096133, c = 4.7148567782599144, total energy = -11.38156483260944

Attempting to perform relaxation using initial lattice constant guess of a = [2.88057173] Angstroms and c = 5.174349322636639 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.381565
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.877250579804312, c = 4.714856762862985, total energy = -11.38156483260944

Attempting to perform relaxation using initial lattice constant guess of a = [2.88057173] Angstroms and c = 5.409547019120122 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.381565
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.8772505803431185, c = 4.7148567686466025, total energy = -11.38156483260944

Attempting to perform relaxation using initial lattice constant guess of a = [2.88057173] Angstroms and c = 5.644744715603606 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.381565
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.87725055975908, c = 4.714856834689351, total energy = -11.381564832609442

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

 Final lattice Constants:
   a = 2.877250569784432 Angstroms, c = 4.714856796534548 Angstroms, c/a = 1.638667

 Total energy: -11.381564832609444 eV

 Cohesive energy: -2.845391208152361 eV/atom

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