Element = Lattice = Model = Element: Pt
Lattice: hcp
Model: MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_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: -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 = 2.7711561083793663, total energy = -22.987560187704887

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: 73
Results for this minimization:
  a = 2.7711561096832162, total energy = -22.987560187704883

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: 74
Results for this minimization:
  a = 2.771156101673842, 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 = 2.7711560989730044, total energy = -22.987560187704894

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 = 2.77115610614419, 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: 70
Results for this minimization:
  a = 2.77115609832108, total energy = -22.987560187704887

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 = 2.7711560986936092, 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: 70
Results for this minimization:
  a = 2.771156104042892, total energy = -22.98756018770489

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7711561100557436, total energy = -22.98756018770489

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: 74
Results for this minimization:
  a = 2.7711561039905064, total energy = -22.987560187704887

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: 73
Results for this minimization:
  a = 2.7711561057716603, total energy = -22.987560187704887

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: 77
Results for this minimization:
  a = 2.771156091615558, total energy = -22.987560187704883

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: 72
Results for this minimization:
  a = 2.7711561061441885, 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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.771156098507343, 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: 77
Results for this minimization:
  a = 2.7711560977622867, total energy = -22.987560187704887

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7711561039090147, total energy = -22.98756018770489

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: 83
Results for this minimization:
  a = 2.7711560901138017, total energy = -22.987560187704887

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 = 2.7711561124538973, total energy = -22.987560187704887

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: 80
Results for this minimization:
  a = 2.771156102884561, 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: 80
Results for this minimization:
  a = 2.771156098321076, 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: 80
Results for this minimization:
  a = 2.771156098879873, total energy = -22.987560187704887

==============================================================================
==============================================================================
 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: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.759725802470148, c = 4.563361446129624, total energy = -22.990718750141045

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: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.7597257961209882, c = 4.563361485055121, total energy = -22.99071875014104

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: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.759725808617971, c = 4.563361436830327, total energy = -22.990718750141045

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: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.7597258109059886, c = 4.563361423286231, total energy = -22.990718750141042

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: 143
Results for this minimization:
  a = 2.7597257951092726, c = 4.563361430657837, total energy = -22.99071875014104

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: 75
         Function evaluations: 155
Results for this minimization:
  a = 2.7597257958614185, c = 4.563361468323716, total energy = -22.99071875014104

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: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.7597257975870546, c = 4.563361435535468, 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: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.75972580407543, c = 4.563361430446502, 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: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.759725806302306, c = 4.563361447247434, total energy = -22.990718750141045

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

 Final lattice Constants:
   a = 2.759725802470148 Angstroms, c = 4.563361446129624 Angstroms, c/a = 1.653556

 Total energy: -22.990718750141045 eV

 Cohesive energy: -5.747679687535261 eV/atom

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