Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_000
Computed model cutoff of 4.4000000001862976 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

==============================================================================
==============================================================================
 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: -17.040705
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5525917178019917, total energy = -17.040705231528243

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: -17.040705
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5525917051360016, total energy = -17.04070523152823

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: -17.040705
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5525917261838913, total energy = -17.040705231528232

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: -17.040705
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5525917090475607, total energy = -17.040705231528236

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: -17.040705
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5525917246937775, total energy = -17.040705231528236

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: -17.040705
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.552591716940517, total energy = -17.040705231528236

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: -17.040705
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5525917185470473, total energy = -17.040705231528236

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: -17.040705
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.552591721934732, total energy = -17.040705231528232

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: -17.040705
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.55259171780199, total energy = -17.04070523152824

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: -17.040705
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.55259171742946, total energy = -17.04070523152823

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: -17.040705
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5525917069171555, total energy = -17.04070523152824

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: -17.040705
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.552591723669319, total energy = -17.040705231528236

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: -17.040705
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5525917261838913, total energy = -17.040705231528232

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: -17.040705
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5525917263701556, total energy = -17.040705231528232

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: -17.040705
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5525917192921037, total energy = -17.040705231528232

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: -17.040705
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5525917083024976, total energy = -17.04070523152823

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: -17.040705
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.552591711282729, total energy = -17.040705231528236

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: -17.040705
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.55259171128273, total energy = -17.040705231528232

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: -17.040705
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5525917172431942, total energy = -17.040705231528232

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: -17.040705
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5525917118415236, total energy = -17.04070523152823

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: -17.040705
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.552591717243194, total energy = -17.04070523152823

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: -17.040705
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5525917284190633, total energy = -17.04070523152823

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: -17.040705
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.552591714425944, total energy = -17.040705231528236

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: -17.040705
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5525917083927165, total energy = -17.04070523152824

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: -17.040705
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.552591717056929, total energy = -17.04070523152824

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: -17.040705
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.552591712024879, total energy = -17.040705231528232

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: -17.040705
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5525917271268526, total energy = -17.040705231528232

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: -17.040705
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.552591722458601, total energy = -17.040705231528232

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: -17.040705
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.552591706917151, total energy = -17.040705231528232

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55259172] Angstroms and c = 3.3346918561436114 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.5629143312833587, c = 4.135204060966889, total energy = -17.0428752346144

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259172] Angstroms and c = 3.5431100971525873 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.5629142983666227, c = 4.135204154299084, total energy = -17.042875234614407

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259172] Angstroms and c = 3.751528338161563 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 63
         Function evaluations: 135
Results for this minimization:
  a = 2.5629142954594815, c = 4.135204175917479, total energy = -17.042875234614407

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259172] Angstroms and c = 3.959946579170539 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.562914317736543, c = 4.135204124017658, total energy = -17.04287523461441

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259172] Angstroms and c = 4.168364820179515 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 63
         Function evaluations: 137
Results for this minimization:
  a = 2.5629143182548595, c = 4.135204100544006, total energy = -17.04287523461441

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259172] Angstroms and c = 4.37678306118849 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.562914327076907, c = 4.135204101821163, total energy = -17.042875234614407

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259172] Angstroms and c = 4.585201302197467 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.5629143174547524, c = 4.13520410406611, total energy = -17.042875234614414

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259172] Angstroms and c = 4.793619543206443 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 72
         Function evaluations: 148
Results for this minimization:
  a = 2.5629143279423627, c = 4.135204077744946, total energy = -17.042875234614403

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259172] Angstroms and c = 5.0020377842154184 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.56291432145621, c = 4.135204108340461, total energy = -17.042875234614407

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

 Final lattice Constants:
   a = 2.5629143174547524 Angstroms, c = 4.13520410406611 Angstroms, c/a = 1.613477

 Total energy: -17.042875234614414 eV

 Cohesive energy: -4.260718808653603 eV/atom

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