Element = Lattice = Model = Element: Mn
Lattice: hcp
Model: MEAM_LAMMPS_ChoiKimSeol_2017_CrMn__MO_671124822359_000
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mn

==============================================================================
==============================================================================
 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: -11.665140
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.6035558104515104, total energy = -11.665139658787284

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: -11.665140
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.6035558104515077, total energy = -11.665139658787284

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: -11.665140
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.6035558057483286, total energy = -11.665139658787288

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: -11.665140
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.6035557880997704, total energy = -11.665139658787279

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: -11.665140
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.6035557920113237, total energy = -11.665139658787279

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: -11.665140
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.603555809776302, total energy = -11.66513965878728

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: -11.665140
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.6035558108240373, total energy = -11.665139658787282

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: -11.665140
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.603555805981159, total energy = -11.665139658787282

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: -11.665140
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6035558134317407, total energy = -11.665139658787282

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: -11.665140
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.6035558018833402, total energy = -11.665139658787279

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: -11.665140
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.6035558037459854, total energy = -11.665139658787284

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: -11.665140
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.6035558059811588, total energy = -11.665139658787282

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: -11.665140
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.603555802255869, total energy = -11.665139658787284

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: -11.665140
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.603555799415335, total energy = -11.665139658787279

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: -11.665140
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.6035558042349285, total energy = -11.66513965878728

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: -11.665140
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.6035558123141525, total energy = -11.665139658787284

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: -11.665140
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.6035558065399527, total energy = -11.665139658787282

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: -11.665140
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.6035558067815145, total energy = -11.66513965878728

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: -11.665140
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.603555805841461, total energy = -11.665139658787284

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: -11.665140
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6035557987168425, total energy = -11.665139658787282

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: -11.665140
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6035558134317385, total energy = -11.66513965878728

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: -11.665140
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.6035558036062847, total energy = -11.66513965878728

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: -11.665140
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.603555805981159, total energy = -11.66513965878728

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: -11.665140
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.603555804770437, total energy = -11.665139658787279

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: -11.665140
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.603555810451506, total energy = -11.66513965878728

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: -11.665140
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.6035558065399544, total energy = -11.665139658787282

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: -11.665140
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.603555798518935, total energy = -11.665139658787284

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: -11.665140
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.60355581343174, total energy = -11.66513965878728

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: -11.665140
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.6035558103467293, total energy = -11.665139658787284

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: -11.665140
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.603555797785519, total energy = -11.665139658787279

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.60355581] Angstroms and c = 3.4012710618368662 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666481
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.6127430939475795, c = 4.220953869208043, total energy = -11.66648050178252

Attempting to perform relaxation using initial lattice constant guess of a = [2.60355581] Angstroms and c = 3.6138505032016703 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666481
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.6127430987583673, c = 4.220953870158521, total energy = -11.666480501782523

Attempting to perform relaxation using initial lattice constant guess of a = [2.60355581] Angstroms and c = 3.8264299445664745 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666481
         Iterations: 63
         Function evaluations: 141
Results for this minimization:
  a = 2.612743108071343, c = 4.220953853674468, total energy = -11.666480501782521

Attempting to perform relaxation using initial lattice constant guess of a = [2.60355581] Angstroms and c = 4.039009385931278 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666481
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.612743110340743, c = 4.220953836914209, total energy = -11.666480501782521

Attempting to perform relaxation using initial lattice constant guess of a = [2.60355581] Angstroms and c = 4.251588827296082 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666481
         Iterations: 72
         Function evaluations: 146
Results for this minimization:
  a = 2.6127430993398715, c = 4.220953861474813, total energy = -11.66648050178252

Attempting to perform relaxation using initial lattice constant guess of a = [2.60355581] Angstroms and c = 4.464168268660886 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666481
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.612743108310016, c = 4.2209538380822265, total energy = -11.66648050178252

Attempting to perform relaxation using initial lattice constant guess of a = [2.60355581] Angstroms and c = 4.6767477100256905 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666481
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.6127431071969824, c = 4.220953850712986, total energy = -11.666480501782518

Attempting to perform relaxation using initial lattice constant guess of a = [2.60355581] Angstroms and c = 4.889327151390495 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666481
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.6127430980218174, c = 4.220953858096304, total energy = -11.666480501782523

Attempting to perform relaxation using initial lattice constant guess of a = [2.60355581] Angstroms and c = 5.101906592755299 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666481
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.612743116450836, c = 4.220953789293773, total energy = -11.666480501782516

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

 Final lattice Constants:
   a = 2.6127430987583673 Angstroms, c = 4.220953870158521 Angstroms, c/a = 1.615526

 Total energy: -11.666480501782523 eV

 Cohesive energy: -2.9166201254456308 eV/atom

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