Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000
Computed model cutoff of 5.000000004544876 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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.866634295880798, total energy = -13.307991835267451

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 = 2.8666342982556667, total energy = -13.30799183526745

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: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8666342943906784, total energy = -13.307991835267446

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8666342971148024, total energy = -13.30799183526745

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: 79
Results for this minimization:
  a = 2.866634300351146, total energy = -13.307991835267448

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8666343003511447, total energy = -13.307991835267446

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: 76
Results for this minimization:
  a = 2.8666342932730915, total energy = -13.307991835267448

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: 77
Results for this minimization:
  a = 2.866634286765475, total energy = -13.307991835267446

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8666342975571775, total energy = -13.30799183526745

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: 75
Results for this minimization:
  a = 2.866634295100813, total energy = -13.307991835267448

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: 76
Results for this minimization:
  a = 2.8666342901880864, total energy = -13.30799183526745

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: 76
Results for this minimization:
  a = 2.866634298861025, total energy = -13.307991835267446

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: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.866634301841259, total energy = -13.307991835267448

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: 74
Results for this minimization:
  a = 2.8666342968586838, total energy = -13.307991835267456

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: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8666342968586838, total energy = -13.307991835267458

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8666342828539206, total energy = -13.307991835267451

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.866634295880794, total energy = -13.307991835267446

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8666342842916492, total energy = -13.307991835267451

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8666342852171502, total energy = -13.30799183526745

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.866634300979786, total energy = -13.307991835267451

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8666342838201664, total energy = -13.307991835267453

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8666342972777765, total energy = -13.307991835267448

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.866634276811965, total energy = -13.30799183526745

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8666343007789674, total energy = -13.307991835267446

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 = 2.8666342943906775, total energy = -13.30799183526745

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.866634283028544, total energy = -13.307991835267448

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.866634302027521, total energy = -13.307991835267444

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.86663428414613, total energy = -13.30799183526745

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: 81
Results for this minimization:
  a = 2.866634300351139, total energy = -13.307991835267444

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: 81
Results for this minimization:
  a = 2.8666343033313746, total energy = -13.307991835267446

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: -13.307992
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.86663429089822, total energy = -13.307991835267446

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: -13.307992
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.866634300805159, total energy = -13.307991835267446

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: -13.307992
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8666342943906784, total energy = -13.307991835267446

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: -13.307992
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.866634290385987, total energy = -13.307991835267451

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.8666343] Angstroms and c = 3.7449553634484345 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 78
         Function evaluations: 158
Results for this minimization:
  a = 2.8325563558705427, c = 4.794639555123472, total energy = -13.321925797643871

Attempting to perform relaxation using initial lattice constant guess of a = [2.8666343] Angstroms and c = 3.9790150736639616 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.8325563608107163, c = 4.794639551640298, total energy = -13.32192579764387

Attempting to perform relaxation using initial lattice constant guess of a = [2.8666343] Angstroms and c = 4.213074783879488 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.8325563559286513, c = 4.794639606114071, total energy = -13.321925797643871

Attempting to perform relaxation using initial lattice constant guess of a = [2.8666343] Angstroms and c = 4.447134494095016 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.83255638022324, c = 4.794639549365984, total energy = -13.321925797643866

Attempting to perform relaxation using initial lattice constant guess of a = [2.8666343] Angstroms and c = 4.681194204310543 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.832556378392125, c = 4.794639568416914, total energy = -13.321925797643871

Attempting to perform relaxation using initial lattice constant guess of a = [2.8666343] Angstroms and c = 4.91525391452607 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 66
         Function evaluations: 138
Results for this minimization:
  a = 2.832556381299495, c = 4.794639556670718, total energy = -13.321925797643866

Attempting to perform relaxation using initial lattice constant guess of a = [2.8666343] Angstroms and c = 5.1493136247415965 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 73
         Function evaluations: 147
Results for this minimization:
  a = 2.8325563323150473, c = 4.794639602120434, total energy = -13.321925797643862

Attempting to perform relaxation using initial lattice constant guess of a = [2.8666343] Angstroms and c = 5.383373334957124 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.8325563704817642, c = 4.79463954604534, total energy = -13.321925797643871

Attempting to perform relaxation using initial lattice constant guess of a = [2.8666343] Angstroms and c = 5.6174330451726515 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.832556351793175, c = 4.794639638687212, total energy = -13.32192579764387

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

 Final lattice Constants:
   a = 2.8325563558705427 Angstroms, c = 4.794639555123472 Angstroms, c/a = 1.692690

 Total energy: -13.321925797643871 eV

 Cohesive energy: -3.330481449410968 eV/atom

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