Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_001
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ti

==============================================================================
==============================================================================
 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: -19.480000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.920000002533201, total energy = -19.48000000008049

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: -19.480000
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.920000013709068, total energy = -19.48000000008048

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: -19.480000
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.920000000158325, total energy = -19.480000000080487

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: -19.480000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9199999935925067, total energy = -19.480000000080484

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: -19.480000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.919999996316622, total energy = -19.480000000080487

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: -19.480000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.919999980926516, total energy = -19.480000000080487

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: -19.480000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9199999980628504, total energy = -19.480000000080484

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: -19.480000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9199999952688813, total energy = -19.480000000080487

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: -19.480000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.91999998688698, total energy = -19.48000000008048

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: -19.480000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.920000003278256, total energy = -19.480000000080484

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: -19.480000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.91999998856336, total energy = -19.480000000080484

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: -19.480000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9199999941512926, total energy = -19.480000000080484

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: -19.480000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9199999887496233, total energy = -19.480000000080484

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: -19.480000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.919999997329432, total energy = -19.480000000080484

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: -19.480000
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.919999993656529, total energy = -19.480000000080484

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: -19.480000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.919999995268881, total energy = -19.480000000080484

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: -19.480000
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.919999991357326, total energy = -19.48000000008048

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: -19.480000
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9199999989941716, total energy = -19.480000000080484

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: -19.480000
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9199999990873042, total energy = -19.480000000080484

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: -19.480000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.919999992649536, total energy = -19.480000000080484

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: -19.480000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9199999928474427, total energy = -19.48000000008048

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: -19.480000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9199999884469414, total energy = -19.48000000008048

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: -19.480000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.919999989680946, total energy = -19.480000000080484

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: -19.480000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9199999955482756, total energy = -19.480000000080484

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: -19.480000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9200000047683696, total energy = -19.480000000080484

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: -19.480000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.919999993016246, total energy = -19.48000000008049

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: -19.480000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.919999992195514, total energy = -19.480000000080487

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: -19.480000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9199999979609856, total energy = -19.480000000080487

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: -19.480000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9200000011362097, total energy = -19.480000000080484

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: -19.480000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9199999948963513, total energy = -19.480000000080484

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 3.814672029403696 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 2.9453374068943035, c = 4.687408041169027, total energy = -19.490770904110704

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.053089031241427 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.94533739716385, c = 4.687408006400423, total energy = -19.490770904110704

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.291506033079158 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.9453374048451253, c = 4.687407995410482, total energy = -19.490770904110708

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.529923034916889 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 65
         Function evaluations: 136
Results for this minimization:
  a = 2.9453373931311617, c = 4.687408024049548, total energy = -19.490770904110704

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.76834003675462 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 2.945337405765544, c = 4.687408022814695, total energy = -19.490770904110708

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.006757038592351 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.9453373941637597, c = 4.6874080574395265, total energy = -19.4907709041107

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.245174040430082 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 70
         Function evaluations: 155
Results for this minimization:
  a = 2.945337394239699, c = 4.687408017394314, total energy = -19.490770904110708

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.483591042267813 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.9453373922122563, c = 4.687408006281432, total energy = -19.490770904110704

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.722008044105544 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.9453374061258586, c = 4.6874079914388656, total energy = -19.490770904110704

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

 Final lattice Constants:
   a = 2.9453374048451253 Angstroms, c = 4.687407995410482 Angstroms, c/a = 1.591467

 Total energy: -19.490770904110708 eV

 Cohesive energy: -4.872692726027677 eV/atom

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