Element = Lattice = Model = Element: Mn
Lattice: hcp
Model: MEAM_LAMMPS_KimShinLee_2009_FeMn__MO_058735400462_001
Computed model cutoff of 3.5999999965727416 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: -11.661123
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.6038006961345705, total energy = -11.661122772155625

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: -11.661123
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.6038006927818063, total energy = -11.661122772155622

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: -11.661123
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.6038006982998922, total energy = -11.661122772155625

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: -11.661123
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.603800689917994, total energy = -11.66112277215562

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: -11.661123
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.603800707310441, total energy = -11.661122772155622

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: -11.661123
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.603800690174105, total energy = -11.661122772155622

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: -11.661123
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.6038006969727574, total energy = -11.661122772155622

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: -11.661123
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.603800692362711, total energy = -11.661122772155624

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: -11.661123
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.603800698742272, total energy = -11.661122772155625

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: -11.661123
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.6038006987422717, total energy = -11.66112277215562

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: -11.661123
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.6038006827235223, total energy = -11.661122772155615

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: -11.661123
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.60380070656538, total energy = -11.66112277215562

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: -11.661123
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.603800684446469, total energy = -11.661122772155617

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: -11.661123
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.6038006969727574, total energy = -11.661122772155622

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: -11.661123
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.6038006983697413, total energy = -11.66112277215562

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: -11.661123
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.6038006992486764, total energy = -11.661122772155622

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: -11.661123
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.6038007028400894, total energy = -11.661122772155622

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: -11.661123
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.603800706274342, total energy = -11.66112277215562

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: -11.661123
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.6038006950926498, total energy = -11.661122772155624

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: -11.661123
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.603800701582804, total energy = -11.661122772155622

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: -11.661123
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.603800708055494, total energy = -11.661122772155618

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: -11.661123
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.6038007005117816, total energy = -11.661122772155622

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.6038007] Angstroms and c = 3.401590985297776 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.662629
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.6136144489914486, c = 4.219239932323185, total energy = -11.66262914510737

Attempting to perform relaxation using initial lattice constant guess of a = [2.6038007] Angstroms and c = 3.6141904218788867 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.662629
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 2.6136144579451526, c = 4.219239923056784, total energy = -11.66262914510737

Attempting to perform relaxation using initial lattice constant guess of a = [2.6038007] Angstroms and c = 3.8267898584599975 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.662629
         Iterations: 63
         Function evaluations: 136
Results for this minimization:
  a = 2.6136144601276174, c = 4.21923993426969, total energy = -11.66262914510737

Attempting to perform relaxation using initial lattice constant guess of a = [2.6038007] Angstroms and c = 4.039389295041108 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.662629
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.613614456686652, c = 4.219239932811519, total energy = -11.662629145107372

Attempting to perform relaxation using initial lattice constant guess of a = [2.6038007] Angstroms and c = 4.25198873162222 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.662629
         Iterations: 70
         Function evaluations: 145
Results for this minimization:
  a = 2.613614464172243, c = 4.219239896903924, total energy = -11.66262914510737

Attempting to perform relaxation using initial lattice constant guess of a = [2.6038007] Angstroms and c = 4.4645881682033295 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.662629
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.6136144533774655, c = 4.2192399297301115, total energy = -11.66262914510737

Attempting to perform relaxation using initial lattice constant guess of a = [2.6038007] Angstroms and c = 4.677187604784441 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.662629
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.613614470436521, c = 4.219239932851279, total energy = -11.662629145107367

Attempting to perform relaxation using initial lattice constant guess of a = [2.6038007] Angstroms and c = 4.889787041365551 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.662629
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.6136144459064603, c = 4.219239961603693, total energy = -11.662629145107369

Attempting to perform relaxation using initial lattice constant guess of a = [2.6038007] Angstroms and c = 5.102386477946663 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.662629
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.613614446357295, c = 4.219239951810934, total energy = -11.662629145107369

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

 Final lattice Constants:
   a = 2.613614456686652 Angstroms, c = 4.219239932811519 Angstroms, c/a = 1.614331

 Total energy: -11.662629145107372 eV

 Cohesive energy: -2.915657286276843 eV/atom

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