Element = Lattice = Model = Element: Pt
Lattice: hcp
Model: MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_000
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pt

==============================================================================
==============================================================================
 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: -17.728732
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4910388413816724, total energy = -17.728732087061736

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: -17.728732
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4910388500895344, total energy = -17.728732087061744

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: -17.728732
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.491038844920695, total energy = -17.72873208706174

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: -17.728732
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4910388602409563, total energy = -17.728732087061733

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: -17.728732
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4910388443619036, total energy = -17.728732087061744

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: -17.728732
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4910388497635734, total energy = -17.72873208706174

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: -17.728732
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.491038858494722, total energy = -17.728732087061736

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: -17.728732
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.491038852953352, total energy = -17.72873208706174

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: -17.728732
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.491038847342135, total energy = -17.728732087061736

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: -17.728732
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4910388464573776, total energy = -17.72873208706174

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: -17.728732
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4910388540709394, total energy = -17.728732087061744

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: -17.728732
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.491038847900927, total energy = -17.728732087061754

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: -17.728732
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4910388534190133, total energy = -17.728732087061747

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: -17.728732
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.491038848552853, total energy = -17.72873208706174

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: -17.728732
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.491038851533085, total energy = -17.72873208706174

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: -17.728732
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.491038841498084, total energy = -17.72873208706174

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: -17.728732
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4910388611257064, total energy = -17.728732087061736

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: -17.728732
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4910388427088037, total energy = -17.728732087061747

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: -17.728732
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4910388497635716, total energy = -17.72873208706174

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: -17.728732
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4910388622432933, total energy = -17.72873208706173

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: -17.728732
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4910388479009264, total energy = -17.72873208706175

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: -17.728732
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.491038850881157, total energy = -17.72873208706174

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: -17.728732
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.491038852953352, total energy = -17.72873208706174

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: -17.728732
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.4910388507414565, total energy = -17.72873208706174

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: -17.728732
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.491038852930068, total energy = -17.728732087061736

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: -17.728732
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.4910388489719497, total energy = -17.72873208706174

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: -17.728732
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4910388559568646, total energy = -17.728732087061736

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: -17.728732
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4910388501011766, total energy = -17.728732087061744

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: -17.728732
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4910388538613866, total energy = -17.72873208706174

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: -17.728732
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.491038847241724, total energy = -17.728732087061744

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49103885] Angstroms and c = 3.2542795236307978 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.731167
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.480766452915256, c = 4.102073751084549, total energy = -17.73116688246181

Attempting to perform relaxation using initial lattice constant guess of a = [2.49103885] Angstroms and c = 3.4576719938577227 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.731167
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.480766465855505, c = 4.1020737872127055, total energy = -17.731166882461814

Attempting to perform relaxation using initial lattice constant guess of a = [2.49103885] Angstroms and c = 3.6610644640846477 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.731167
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.4807664581629205, c = 4.102073799676746, total energy = -17.731166882461817

Attempting to perform relaxation using initial lattice constant guess of a = [2.49103885] Angstroms and c = 3.8644569343115727 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.731167
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.480766456574468, c = 4.102073805810399, total energy = -17.73116688246181

Attempting to perform relaxation using initial lattice constant guess of a = [2.49103885] Angstroms and c = 4.067849404538498 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.731167
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.4807664685373583, c = 4.1020737463502215, total energy = -17.731166882461814

Attempting to perform relaxation using initial lattice constant guess of a = [2.49103885] Angstroms and c = 4.271241874765423 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.731167
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.480766465499488, c = 4.102073771181766, total energy = -17.731166882461814

Attempting to perform relaxation using initial lattice constant guess of a = [2.49103885] Angstroms and c = 4.474634344992348 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.731167
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.4807664473778175, c = 4.102073794771599, total energy = -17.731166882461817

Attempting to perform relaxation using initial lattice constant guess of a = [2.49103885] Angstroms and c = 4.6780268152192725 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.731167
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.480766456393654, c = 4.102073764615044, total energy = -17.731166882461817

Attempting to perform relaxation using initial lattice constant guess of a = [2.49103885] Angstroms and c = 4.8814192854461975 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.731167
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.48076645829663, c = 4.102073777813575, total energy = -17.73116688246182

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

 Final lattice Constants:
   a = 2.48076645829663 Angstroms, c = 4.102073777813575 Angstroms, c/a = 1.653551

 Total energy: -17.73116688246182 eV

 Cohesive energy: -4.432791720615455 eV/atom

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