Element = Lattice = Model = Element: Pt
Lattice: hcp
Model: MEAM_LAMMPS_KimSeolJi_2017_PtCo__MO_545073984441_001
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: -22.987560
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7711561026051683, total energy = -22.98756018770489

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 = 2.771156095073092, total energy = -22.98756018770489

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 = 2.7711561005562544, total energy = -22.98756018770489

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 = 2.7711561089381647, total energy = -22.987560187704887

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 = 2.771156106144192, total energy = -22.987560187704897

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7711561029718736, total energy = -22.98756018770489

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: 75
Results for this minimization:
  a = 2.7711561048403377, total energy = -22.987560187704894

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: 77
Results for this minimization:
  a = 2.7711561000323854, total energy = -22.987560187704894

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 = 2.7711561080068376, total energy = -22.98756018770489

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7711560986004775, total energy = -22.987560187704887

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: 76
Results for this minimization:
  a = 2.771156107541174, total energy = -22.987560187704887

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.771156114898621, total energy = -22.987560187704887

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7711561128962785, total energy = -22.98756018770489

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: 68
Results for this minimization:
  a = 2.7711561060830716, total energy = -22.987560187704894

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: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7711560976691545, total energy = -22.987560187704887

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: 69
Results for this minimization:
  a = 2.7711561087286083, total energy = -22.987560187704894

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: 70
Results for this minimization:
  a = 2.771156099438666, total energy = -22.987560187704887

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: 73
Results for this minimization:
  a = 2.7711561042815447, total energy = -22.98756018770489

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: 72
Results for this minimization:
  a = 2.7711561021395026, total energy = -22.98756018770489

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: 76
Results for this minimization:
  a = 2.7711561016738413, total energy = -22.987560187704887

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.771156100928782, total energy = -22.987560187704887

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: 75
Results for this minimization:
  a = 2.7711560985073427, total energy = -22.987560187704887

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.771156105620321, total energy = -22.987560187704894

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: 77
Results for this minimization:
  a = 2.7711561074480384, total energy = -22.987560187704887

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: 78
Results for this minimization:
  a = 2.7711561083793628, total energy = -22.987560187704887

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: 79
Results for this minimization:
  a = 2.771156112779865, total energy = -22.987560187704894

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: 77
Results for this minimization:
  a = 2.7711561128497095, total energy = -22.987560187704883

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7711561060423264, total energy = -22.987560187704887

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: 81
Results for this minimization:
  a = 2.7711560966446953, total energy = -22.987560187704887

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: 81
Results for this minimization:
  a = 2.771156112448079, total energy = -22.987560187704883

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.77115611] Angstroms and c = 3.620223177413958 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 2.759725795451261, c = 4.563361431054091, total energy = -22.99071875014104

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115611] Angstroms and c = 3.84648712600233 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.7597258071312396, c = 4.563361425438883, total energy = -22.990718750141042

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115611] Angstroms and c = 4.072751074590702 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.7597258150407087, c = 4.563361399760756, total energy = -22.99071875014104

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115611] Angstroms and c = 4.2990150231790745 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.759725797856906, c = 4.563361453588158, total energy = -22.990718750141045

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115611] Angstroms and c = 4.525278971767447 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 65
         Function evaluations: 146
Results for this minimization:
  a = 2.7597257988575827, c = 4.563361459632329, total energy = -22.990718750141042

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115611] Angstroms and c = 4.751542920355819 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.7597257990521413, c = 4.563361434645529, total energy = -22.990718750141042

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115611] Angstroms and c = 4.9778068689441906 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.7597258085455483, c = 4.563361432129938, total energy = -22.990718750141045

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115611] Angstroms and c = 5.204070817532563 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 2.759725791193642, c = 4.563361470567089, total energy = -22.990718750141042

Attempting to perform relaxation using initial lattice constant guess of a = [2.77115611] Angstroms and c = 5.430334766120936 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.990719
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.7597258050890674, c = 4.563361475862447, total energy = -22.99071875014104

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

 Final lattice Constants:
   a = 2.759725797856906 Angstroms, c = 4.563361453588158 Angstroms, c/a = 1.653556

 Total energy: -22.990718750141045 eV

 Cohesive energy: -5.747679687535261 eV/atom

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