Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_001
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Al

==============================================================================
==============================================================================
 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: -13.307992
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8666342765092887, total energy = -13.307991835060362

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: -13.307992
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8666342740529225, total energy = -13.30799183506036

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: -13.307992
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8666343055665493, total energy = -13.307991835060356

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: -13.307992
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8666342686861808, total energy = -13.307991835060353

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: -13.307992
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.866634269058708, total energy = -13.307991835060351

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: -13.307992
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8666342894546704, total energy = -13.30799183506036

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: -13.307992
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.866634275019169, total energy = -13.307991835060356

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: -13.307992
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8666342673823237, total energy = -13.307991835060356

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342675685907, total energy = -13.307991835060353

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: -13.307992
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8666342743206785, total energy = -13.307991835060355

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: -13.307992
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.8666342735290535, total energy = -13.307991835060353

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: -13.307992
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8666342776268707, total energy = -13.307991835060356

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: -13.307992
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8666342925280333, total energy = -13.307991835060353

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: -13.307992
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.866634265566245, total energy = -13.307991835060347

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: -13.307992
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8666342881508173, total energy = -13.307991835060353

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: -13.307992
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.866634289547801, total energy = -13.307991835060362

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: -13.307992
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8666342729702583, total energy = -13.307991835060353

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: -13.307992
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.866634289966896, total energy = -13.307991835060362

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: -13.307992
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8666342761367556, total energy = -13.307991835060358

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342708049344, total energy = -13.307991835060353

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: -13.307992
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.86663427632302, total energy = -13.307991835060358

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: -13.307992
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8666342675685863, total energy = -13.307991835060355

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: -13.307992
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8666342770738993, total energy = -13.307991835060358

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: -13.307992
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8666342822834823, total energy = -13.307991835060362

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: -13.307992
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.866634275019168, total energy = -13.307991835060358

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342890792302, total energy = -13.307991835060356

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: -13.307992
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8666342861950374, total energy = -13.307991835060356

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: -13.307992
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8666342812939547, total energy = -13.307991835060358

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: -13.307992
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8666342718526683, total energy = -13.307991835060353

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: -13.307992
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8666342895478003, total energy = -13.307991835060358

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 3.7449553368640958 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.8325563534993288, c = 4.794639582382386, total energy = -13.321925797637514

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 3.9790150454181017 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 2.8325563769843622, c = 4.7946395606166785, total energy = -13.321925797637526

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.213074753972108 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.832556345380066, c = 4.794639645448422, total energy = -13.321925797637517

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.4471344625261136 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 62
         Function evaluations: 141
Results for this minimization:
  a = 2.832556365313434, c = 4.7946396042013415, total energy = -13.321925797637519

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.6811941710801195 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 69
         Function evaluations: 156
Results for this minimization:
  a = 2.8325563771513247, c = 4.794639567793103, total energy = -13.321925797637519

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.915253879634125 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.8325563699513427, c = 4.794639593413494, total energy = -13.321925797637515

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.149313588188131 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.8325563741359656, c = 4.794639606891132, total energy = -13.321925797637519

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.383373296742137 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.832556367320511, c = 4.794639604387862, total energy = -13.321925797637517

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.617433005296143 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.8325563643474085, c = 4.794639650482933, total energy = -13.321925797637517

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

 Final lattice Constants:
   a = 2.8325563769843622 Angstroms, c = 4.7946395606166785 Angstroms, c/a = 1.692690

 Total energy: -13.321925797637526 eV

 Cohesive energy: -3.3304814494093815 eV/atom

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