Element = Lattice = Model = Element: C
Lattice: hcp
Model: MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species C

==============================================================================
==============================================================================
 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: -9.952025
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.341815808415416, total energy = -9.952025365470965

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: -9.952025
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.341815828345715, total energy = -9.95202536547098

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: -9.952025
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.3418158292770386, total energy = -9.952025365471002

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: -9.952025
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.34181581512094, total energy = -9.95202536547097

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: -9.952025
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.341815824992958, total energy = -9.952025365471002

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: -9.952025
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.3418158626649537, total energy = -9.952025365470963

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: -9.952025
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.34181582845049, total energy = -9.952025365471012

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: -9.952025
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.341815812367713, total energy = -9.95202536547099

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: -9.952025
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.341815824806691, total energy = -9.952025365470972

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: -9.952025
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.3418157957494268, total energy = -9.952025365470966

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: -9.952025
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.341815836780006, total energy = -9.952025365470984

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: -9.952025
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.341815823968501, total energy = -9.95202536547098

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: -9.952025
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.341815821826458, total energy = -9.95202536547098

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: -9.952025
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.341815854547894, total energy = -9.952025365470952

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: -9.952025
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.341815817169845, total energy = -9.952025365470966

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: -9.952025
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.341815830674022, total energy = -9.952025365470982

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: -9.952025
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.3418158316984763, total energy = -9.952025365471

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: -9.952025
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.3418158292770386, total energy = -9.952025365470977

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: -9.952025
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.341815811209379, total energy = -9.952025365470966

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: -9.952025
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.3418158132582896, total energy = -9.952025365470966

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: -9.952025
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3418158295098688, total energy = -9.952025365470973

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: -9.952025
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.3418158453423494, total energy = -9.952025365470973

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: -9.952025
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.3418158255517483, total energy = -9.952025365470968

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: -9.952025
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.3418158099055244, total energy = -9.952025365470963

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: -9.952025
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.341815854609012, total energy = -9.952025365470993

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: -9.952025
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.341815823316575, total energy = -9.952025365470972

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: -9.952025
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.3418158369138813, total energy = -9.952025365470979

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: -9.952025
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.341815829509869, total energy = -9.952025365470995

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: -9.952025
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.3418158132582856, total energy = -9.952025365470965

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: -9.952025
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.341815825458614, total energy = -9.952025365470975

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: -0.102842
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 4.98238372586784, total energy = -0.1028421175013104

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: -0.102842
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.982383729121651, total energy = -0.10284211750128393

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: -0.102842
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 4.98238371592015, total energy = -0.10284211750117925

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: -0.102842
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 4.982383731286973, total energy = -0.10284211750134906

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.34181583] Angstroms and c = 3.0593353873476086 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.369017
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.3455590541040334, c = 3.2878900893037697, total energy = -12.369016733989058

Attempting to perform relaxation using initial lattice constant guess of a = [2.34181583] Angstroms and c = 3.250543849056834 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.369017
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.345559065732551, c = 3.287890107536662, total energy = -12.369016733989085

Attempting to perform relaxation using initial lattice constant guess of a = [2.34181583] Angstroms and c = 3.4417523107660597 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.369017
         Iterations: 79
         Function evaluations: 158
Results for this minimization:
  a = 2.345559068631678, c = 3.2878901152157605, total energy = -12.369016733989065

Attempting to perform relaxation using initial lattice constant guess of a = [2.34181583] Angstroms and c = 3.6329607724752853 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.369017
         Iterations: 79
         Function evaluations: 161
Results for this minimization:
  a = 2.3455590667521315, c = 3.2878901109939433, total energy = -12.36901673398906

Attempting to perform relaxation using initial lattice constant guess of a = [2.34181583] Angstroms and c = 3.824169234184511 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.369017
         Iterations: 95
         Function evaluations: 192
Results for this minimization:
  a = 2.3455590769927577, c = 3.287890126506636, total energy = -12.369016733989067

Attempting to perform relaxation using initial lattice constant guess of a = [2.34181583] Angstroms and c = 4.015377695893736 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.157943
         Iterations: 80
         Function evaluations: 161
Results for this minimization:
  a = 2.118390004392639, c = 4.69216169651041, total energy = -11.157943074150896

Attempting to perform relaxation using initial lattice constant guess of a = [2.34181583] Angstroms and c = 4.2065861576029615 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.157943
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.118389991802806, c = 4.692161676978515, total energy = -11.157943074150904

Attempting to perform relaxation using initial lattice constant guess of a = [2.34181583] Angstroms and c = 4.3977946193121875 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.157943
         Iterations: 75
         Function evaluations: 153
Results for this minimization:
  a = 2.1183900033659127, c = 4.6921617020358335, total energy = -11.157943074150907

Attempting to perform relaxation using initial lattice constant guess of a = [2.34181583] Angstroms and c = 4.5890030810214135 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.157943
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 2.1183900100283237, c = 4.6921616798762535, total energy = -11.15794307415089

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

 Final lattice Constants:
   a = 2.345559065732551 Angstroms, c = 3.287890107536662 Angstroms, c/a = 1.401751

 Total energy: -12.369016733989085 eV

 Cohesive energy: -3.092254183497271 eV/atom

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