Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_000
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mg

==============================================================================
==============================================================================
 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: -6.196729
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.200132507085805, total energy = -6.1967285761497894

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: -6.196729
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.200132501497865, total energy = -6.196728576149793

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: -6.196729
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.2001325038727373, total energy = -6.196728576149791

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: -6.196729
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.200132488226526, total energy = -6.196728576149791

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: -6.196729
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.200132498284806, total energy = -6.196728576149792

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: -6.196729
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.200132508948448, total energy = -6.196728576149792

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: -6.196729
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.200132505013607, total energy = -6.196728576149793

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: -6.196729
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.20013249758631, total energy = -6.196728576149793

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: -6.196729
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.200132495164875, total energy = -6.19672857614979

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: -6.196729
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.2001325013116024, total energy = -6.196728576149793

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: -6.196729
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.200132502336055, total energy = -6.196728576149792

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: -6.196729
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.2001324895769336, total energy = -6.196728576149791

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: -6.196729
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.2001325050368905, total energy = -6.196728576149791

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: -6.196729
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2001325204968465, total energy = -6.196728576149789

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: -6.196729
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.200132503721399, total energy = -6.196728576149791

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: -6.196729
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.2001324980403294, total energy = -6.196728576149791

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: -6.196729
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.200132505968214, total energy = -6.196728576149789

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: -6.196729
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.2001324935117736, total energy = -6.196728576149791

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: -6.196729
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.200132508948446, total energy = -6.196728576149791

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: -6.196729
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.2001325014978645, total energy = -6.19672857614979

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: -6.196729
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.2001324991462745, total energy = -6.196728576149791

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: -6.196729
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.200132498494349, total energy = -6.1967285761497894

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: -6.196729
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.20013249758631, total energy = -6.196728576149791

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: -6.196729
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.200132500112521, total energy = -6.196728576149792

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: -6.196729
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.2001324966549864, total energy = -6.1967285761497894

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: -6.196729
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.2001325012883175, total energy = -6.19672857614979

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: -6.196729
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2001324997283502, total energy = -6.196728576149793

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: -6.196729
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.200132502039196, total energy = -6.196728576149792

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: -6.196729
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.2001325123943363, total energy = -6.1967285761497894

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: -6.196729
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.200132503174244, total energy = -6.19672857614979

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: -6.196729
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.200132489576937, total energy = -6.1967285761497894

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: -6.196729
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 3.2001324965385693, total energy = -6.19672857614979

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: -6.196729
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.200132505968213, total energy = -6.19672857614979

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: -6.196729
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.20013249639596, total energy = -6.196728576149793

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 4.180635593581917 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 3.209064988025591, c = 5.196910608067526, total energy = -6.197371400626266

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 4.441925318180786 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 67
         Function evaluations: 151
Results for this minimization:
  a = 3.209064972087633, c = 5.196910596876896, total energy = -6.197371400626267

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 4.7032150427796555 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 3.2090649534373688, c = 5.196910628449219, total energy = -6.197371400626265

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 4.964504767378525 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 3.2090649904008073, c = 5.196910536407927, total energy = -6.197371400626263

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 5.225794491977394 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.209064969032796, c = 5.196910609294081, total energy = -6.197371400626266

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 5.487084216576264 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.2090649703970757, c = 5.196910572600371, total energy = -6.197371400626266

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 5.748373941175133 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.2090649691054476, c = 5.196910628265142, total energy = -6.197371400626265

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 6.009663665774003 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 3.209064986669558, c = 5.19691059983518, total energy = -6.197371400626266

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 6.270953390372872 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 77
         Function evaluations: 153
Results for this minimization:
  a = 3.209064982219763, c = 5.1969105636611275, total energy = -6.197371400626265

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

 Final lattice Constants:
   a = 3.209064972087633 Angstroms, c = 5.196910596876896 Angstroms, c/a = 1.619447

 Total energy: -6.197371400626267 eV

 Cohesive energy: -1.5493428501565667 eV/atom

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