Element = Lattice = Model = Element: Nb
Lattice: hcp
Model: MEAM_LAMMPS_LeeBaskesKim_2001_Nb__MO_802302521552_000
Computed model cutoff of 3.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Nb

==============================================================================
==============================================================================
 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: -29.225742
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9472498772665885, total energy = -29.225741685930966

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: -29.225742
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9472498770104716, total energy = -29.22574168593097

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: -29.225742
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.947249874472618, total energy = -29.225741685930963

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: -29.225742
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.9472498876974056, total energy = -29.225741685930966

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: -29.225742
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.947249875962738, total energy = -29.225741685930963

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: -29.225742
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.9472498870454746, total energy = -29.22574168593098

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: -29.225742
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.947249886393547, total energy = -29.22574168593097

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: -29.225742
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9472498865798116, total energy = -29.225741685930966

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: -29.225742
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.947249889373782, total energy = -29.225741685930963

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: -29.225742
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.9472498816438035, total energy = -29.225741685930966

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: -29.225742
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.947249879315496, total energy = -29.22574168593097

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: -29.225742
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.947249880820162, total energy = -29.225741685930966

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: -29.225742
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.947249874472618, total energy = -29.225741685930966

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: -29.225742
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.947249876818388, total energy = -29.225741685930966

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: -29.225742
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.94724987668451, total energy = -29.225741685930966

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: -29.225742
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.947249873937108, total energy = -29.22574168593096

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: -29.225742
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9472498849034308, total energy = -29.22574168593097

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: -29.225742
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.947249887511134, total energy = -29.22574168593097

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: -29.225742
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.947249876148999, total energy = -29.225741685930966

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: -29.225742
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9472498809918757, total energy = -29.22574168593097

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: -29.225742
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.947249886393546, total energy = -29.225741685930966

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: -29.225742
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.94724987426889, total energy = -29.22574168593097

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: -29.225742
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9472498754039407, total energy = -29.225741685930963

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: -29.225742
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.947249871399251, total energy = -29.22574168593096

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: -29.225742
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9472498774528493, total energy = -29.22574168593097

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.94724989] Angstroms and c = 3.8502711294596113 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.228495
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.9714170179794768, c = 4.73538454666146, total energy = -29.22849485931919

Attempting to perform relaxation using initial lattice constant guess of a = [2.94724989] Angstroms and c = 4.090913075050837 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.228495
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.9714170781755276, c = 4.7353843761916625, total energy = -29.228494859319195

Attempting to perform relaxation using initial lattice constant guess of a = [2.94724989] Angstroms and c = 4.331555020642063 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.228495
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.9714169842453955, c = 4.735384677727458, total energy = -29.22849485931918

Attempting to perform relaxation using initial lattice constant guess of a = [2.94724989] Angstroms and c = 4.572196966233289 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.228495
         Iterations: 66
         Function evaluations: 140
Results for this minimization:
  a = 2.971417036583457, c = 4.73538448689086, total energy = -29.2284948593192

Attempting to perform relaxation using initial lattice constant guess of a = [2.94724989] Angstroms and c = 4.812838911824515 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.228495
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.9714170231998396, c = 4.735384533188803, total energy = -29.228494859319195

Attempting to perform relaxation using initial lattice constant guess of a = [2.94724989] Angstroms and c = 5.053480857415741 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.228495
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.9714170649747498, c = 4.735384451763877, total energy = -29.22849485931919

Attempting to perform relaxation using initial lattice constant guess of a = [2.94724989] Angstroms and c = 5.2941228030069665 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.228495
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.9714170399908406, c = 4.735384473696729, total energy = -29.2284948593192

Attempting to perform relaxation using initial lattice constant guess of a = [2.94724989] Angstroms and c = 5.534764748598192 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.228495
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.9714170305591487, c = 4.73538452292229, total energy = -29.228494859319195

Attempting to perform relaxation using initial lattice constant guess of a = [2.94724989] Angstroms and c = 5.775406694189418 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.228495
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 2.9714170093612404, c = 4.735384541833479, total energy = -29.228494859319195

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

 Final lattice Constants:
   a = 2.971417036583457 Angstroms, c = 4.73538448689086 Angstroms, c/a = 1.593645

 Total energy: -29.2284948593192 eV

 Cohesive energy: -7.3071237148298 eV/atom

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