Element = Lattice = Model = Element: C
Lattice: hcp
Model: MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_000
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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3418158133281395, total energy = -9.952025365470975

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.3418158531188977, total energy = -9.952025365470961

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: 69
Results for this minimization:
  a = 2.3418158116808634, total energy = -9.952025365470977

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: 70
Results for this minimization:
  a = 2.341815832536668, total energy = -9.952025365470991

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: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.341815829277039, total energy = -9.952025365470973

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.341815821826458, total energy = -9.952025365470979

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: 73
Results for this minimization:
  a = 2.3418158546090124, total energy = -9.952025365470961

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: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.3418158059008416, total energy = -9.95202536547096

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 = 2.3418158130021762, total energy = -9.95202536547098

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.3418158432934417, total energy = -9.95202536547099

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: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.3418158292770386, total energy = -9.952025365470991

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: 77
Results for this minimization:
  a = 2.341815837845205, total energy = -9.952025365470973

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: 78
Results for this minimization:
  a = 2.3418158132582896, total energy = -9.952025365470977

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: 76
Results for this minimization:
  a = 2.3418158233165736, 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: 81
Results for this minimization:
  a = 2.3418158331041896, total energy = -9.952025365470979

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.341815831226995, total energy = -9.952025365471004

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.341815798357125, 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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.341815854609012, total energy = -9.95202536547096

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.341815836474417, total energy = -9.952025365470995

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.341815832263089, total energy = -9.952025365470972

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.3418158327694982, 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: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.341815833374853, total energy = -9.952025365470984

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: 82
Results for this minimization:
  a = 2.3418158289045072, total energy = -9.952025365470986

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 = 4.98238373217173, total energy = -0.10284211750129361

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.982383729121649, total energy = -0.10284211750122972

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: 77
Results for this minimization:
  a = 4.982383724185638, total energy = -0.10284211750126088

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: 36
         Function evaluations: 81
Results for this minimization:
  a = 4.982383735344047, total energy = -0.10284211750129645

==============================================================================
==============================================================================
 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: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.3455590728300835, c = 3.2878901201040396, total energy = -12.369016733989085

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: 78
         Function evaluations: 158
Results for this minimization:
  a = 2.345559068123893, c = 3.2878901121031543, total energy = -12.369016733989069

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: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.345559070431544, c = 3.287890112215802, total energy = -12.369016733989069

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 = 2.3455590628516747, c = 3.2878901080177805, total energy = -12.369016733989055

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: 87
         Function evaluations: 179
Results for this minimization:
  a = 2.3455590600194816, c = 3.2878901041940454, total energy = -12.369016733989074

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: 82
         Function evaluations: 162
Results for this minimization:
  a = 2.118389992453561, c = 4.692161655190391, total energy = -11.157943074150902

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: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.1183900053277487, c = 4.692161703158975, total energy = -11.157943074150909

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: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.1183900118957113, c = 4.69216170946383, 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: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.1183900087714274, c = 4.692161713989295, total energy = -11.15794307415091

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

 Final lattice Constants:
   a = 2.3455590728300835 Angstroms, c = 3.2878901201040396 Angstroms, c/a = 1.401751

 Total energy: -12.369016733989085 eV

 Cohesive energy: -3.092254183497271 eV/atom

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