Element = Lattice = Model = Element: Pt
Lattice: hcp
Model: MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_000
Computed model cutoff of 5.999999990463257 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: -22.987560
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.77115608118475, total energy = -22.98756018896946

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: -22.987560
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.771156083233654, total energy = -22.98756018896946

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: -22.987560
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.771156089496799, total energy = -22.987560188969457

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: -22.987560
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7711560899217216, total energy = -22.987560188969457

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: -22.987560
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.77115609161556, total energy = -22.987560188969457

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: -22.987560
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.771156097296628, total energy = -22.987560188969454

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: -22.987560
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.7711560820229355, total energy = -22.987560188969454

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: -22.987560
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.771156085189432, total energy = -22.987560188969464

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: -22.987560
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.771156078577045, total energy = -22.98756018896946

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: -22.987560
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.7711560875177392, total energy = -22.987560188969457

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: -22.987560
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.771156081662048, total energy = -22.987560188969457

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: -22.987560
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7711560777388504, total energy = -22.987560188969457

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: -22.987560
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.771156083792448, total energy = -22.987560188969454

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: -22.987560
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.771156086403061, total energy = -22.987560188969464

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: -22.987560
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.7711560838390135, total energy = -22.987560188969468

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: -22.987560
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.771156091056763, total energy = -22.987560188969454

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: -22.987560
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.771156072616576, total energy = -22.987560188969447

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: -22.987560
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.771156078670174, total energy = -22.987560188969457

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: -22.987560
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7711560839787124, total energy = -22.987560188969454

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: -22.987560
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7711560865864158, total energy = -22.98756018896946

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: -22.987560
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.7711560813710086, total energy = -22.987560188969454

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: -22.987560
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.771156087535198, total energy = -22.987560188969457

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: -22.987560
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.771156083792448, total energy = -22.987560188969454

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: -22.987560
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.771156090125439, total energy = -22.987560188969454

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: -22.987560
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7711560860276214, total energy = -22.98756018896946

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: -22.987560
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.771156081277879, total energy = -22.987560188969457

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: -22.987560
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7711560875177357, total energy = -22.987560188969454

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: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7711560865864158, total energy = -22.987560188969454

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: -22.987560
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.771156084910031, total energy = -22.987560188969457

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: -22.987560
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.771156085096299, total energy = -22.98756018896946

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: -22.987560
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7711560759693397, total energy = -22.987560188969454

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: -22.987560
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7711560833733504, total energy = -22.987560188969454

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: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7711560875177383, total energy = -22.987560188969454

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: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7711560872849024, total energy = -22.987560188969457

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7711560885421913, total energy = -22.987560188969457

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7711560867726823, total energy = -22.987560188969457

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7711560864001474, total energy = -22.987560188969454

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.987560
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.77115608449094, total energy = -22.987560188969457

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.771156086772674, total energy = -22.987560188969454

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.987560
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.771156088262795, total energy = -22.98756018896945

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.987560
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7711560815572653, total energy = -22.987560188969454

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.77115608] Angstroms and c = 3.6202231482745946 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.7597258980470083, c = 4.563361077523057, total energy = -22.9907187529735

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115608] Angstroms and c = 3.846487095041757 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.7597258993484415, c = 4.563361085149677, total energy = -22.9907187529735

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115608] Angstroms and c = 4.072751041808919 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.7597259123140487, c = 4.563361048757162, total energy = -22.990718752973496

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115608] Angstroms and c = 4.299014988576081 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.759725905447614, c = 4.563361074756813, total energy = -22.990718752973507

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115608] Angstroms and c = 4.525278935343244 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 2.759725908892035, c = 4.563361097675603, total energy = -22.990718752973496

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115608] Angstroms and c = 4.751542882110407 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.7597258978930643, c = 4.563361118348977, total energy = -22.990718752973496

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115608] Angstroms and c = 4.9778068288775685 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.7597258919321614, c = 4.563361086774206, total energy = -22.990718752973496

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115608] Angstroms and c = 5.20407077564473 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.7597259068253335, c = 4.563361069291828, total energy = -22.9907187529735

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115608] Angstroms and c = 5.430334722411893 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 81
         Function evaluations: 172
Results for this minimization:
  a = 2.7597259026694685, c = 4.563361112339688, total energy = -22.9907187529735

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

 Final lattice Constants:
   a = 2.759725905447614 Angstroms, c = 4.563361074756813 Angstroms, c/a = 1.653556

 Total energy: -22.990718752973507 eV

 Cohesive energy: -5.747679688243377 eV/atom

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