Element = Lattice = Model = Element: Pt
Lattice: hcp
Model: MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
Computed model cutoff of 4.4000000001862976 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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7711561113596, total energy = -22.987560189511306

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: 83
Results for this minimization:
  a = 2.771156114875339, total energy = -22.987560189511306

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7711561173200607, total energy = -22.987560189511314

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: 82
Results for this minimization:
  a = 2.7711561191827125, total energy = -22.98756018951131

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: 78
Results for this minimization:
  a = 2.7711561083793663, total energy = -22.987560189511306

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: 77
Results for this minimization:
  a = 2.7711561106145406, total energy = -22.987560189511314

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: 77
Results for this minimization:
  a = 2.7711561113595957, total energy = -22.987560189511306

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7711561117321253, total energy = -22.98756018951131

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.771156114339831, total energy = -22.987560189511306

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: 74
Results for this minimization:
  a = 2.7711561132455254, total energy = -22.98756018951131

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7711561117321257, total energy = -22.98756018951131

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 = 2.771156111359595, total energy = -22.987560189511306

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.771156115923077, total energy = -22.987560189511317

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: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.7711561198346315, total energy = -22.987560189511314

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 = 2.7711561079137024, total energy = -22.987560189511303

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 = 2.7711561210453497, total energy = -22.987560189511303

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: 73
Results for this minimization:
  a = 2.7711561128497113, total energy = -22.987560189511314

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.771156115923077, total energy = -22.987560189511303

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.771156119997613, total energy = -22.987560189511306

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.77115612430498, total energy = -22.987560189511303

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: 77
Results for this minimization:
  a = 2.77115611641202, total energy = -22.987560189511306

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: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.77115611504996, total energy = -22.98756018951131

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: 76
Results for this minimization:
  a = 2.7711561173200607, total energy = -22.98756018951131

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 = 2.7711561247706387, total energy = -22.98756018951131

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.771156120300292, total energy = -22.9875601895113

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.771156109130244, total energy = -22.987560189511306

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: 76
Results for this minimization:
  a = 2.7711561190837504, total energy = -22.987560189511317

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: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.771156115923077, total energy = -22.987560189511314

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: 82
Results for this minimization:
  a = 2.7711561092175505, total energy = -22.98756018951131

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.77115612] Angstroms and c = 3.6202231901890394 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.759725857243151, c = 4.563361262594766, total energy = -22.990718748347017

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115612] Angstroms and c = 3.846487139575854 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.759725841032978, c = 4.563361302869065, total energy = -22.990718748347025

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115612] Angstroms and c = 4.072751088962669 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.7597258568801966, c = 4.56336125954134, total energy = -22.990718748347025

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115612] Angstroms and c = 4.299015038349484 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 64
         Function evaluations: 138
Results for this minimization:
  a = 2.7597258487847625, c = 4.5633612952652305, total energy = -22.99071874834702

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115612] Angstroms and c = 4.525278987736298 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.7597258446482664, c = 4.563361252302153, total energy = -22.990718748347025

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115612] Angstroms and c = 4.751542937123114 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.759725845268693, c = 4.563361315317037, total energy = -22.990718748347017

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115612] Angstroms and c = 4.977806886509928 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.7597258481047673, c = 4.563361272080811, total energy = -22.99071874834702

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115612] Angstroms and c = 5.204070835896744 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.7597258550158426, c = 4.563361291044863, total energy = -22.99071874834702

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115612] Angstroms and c = 5.4303347852835575 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 2.7597258463886565, c = 4.563361288621609, total energy = -22.99071874834702

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

 Final lattice Constants:
   a = 2.759725841032978 Angstroms, c = 4.563361302869065 Angstroms, c/a = 1.653556

 Total energy: -22.990718748347025 eV

 Cohesive energy: -5.747679687086756 eV/atom

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