Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
Computed model cutoff of 4.79999999620023 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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5525917142629657, total energy = -17.04070523213072

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.552591713570292, total energy = -17.040705232130723

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: 80
Results for this minimization:
  a = 2.5525917147751898, total energy = -17.04070523213072

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 = 2.5525917172431996, total energy = -17.040705232130716

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 = 2.552591729164126, total energy = -17.040705232130712

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5525917184539155, total energy = -17.04070523213072

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5525917120277892, total energy = -17.040705232130716

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: 78
Results for this minimization:
  a = 2.5525917165214196, total energy = -17.04070523213072

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 = 2.552591714262964, total energy = -17.04070523213072

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: 75
Results for this minimization:
  a = 2.5525917083257816, total energy = -17.04070523213072

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: 73
Results for this minimization:
  a = 2.552591706864769, total energy = -17.040705232130716

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: 70
Results for this minimization:
  a = 2.552591710397973, total energy = -17.040705232130716

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5525917168706656, total energy = -17.04070523213072

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: 70
Results for this minimization:
  a = 2.5525917229475454, total energy = -17.04070523213072

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: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.5525917157065123, total energy = -17.04070523213072

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.552591708838008, total energy = -17.040705232130716

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: 71
Results for this minimization:
  a = 2.552591720502823, total energy = -17.04070523213072

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: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5525917165214196, total energy = -17.04070523213072

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: 76
Results for this minimization:
  a = 2.5525917075574394, total energy = -17.040705232130716

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: 76
Results for this minimization:
  a = 2.5525917118415236, total energy = -17.04070523213072

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 = -17.040705232130716

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5525917162653036, total energy = -17.04070523213072

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: 77
Results for this minimization:
  a = 2.552591716957977, total energy = -17.04070523213072

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 = 2.5525917083024945, total energy = -17.04070523213072

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5525917172431933, total energy = -17.04070523213072

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5525917094317276, total energy = -17.040705232130716

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5525917103048386, total energy = -17.040705232130723

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: 79
Results for this minimization:
  a = 2.552591722458601, total energy = -17.040705232130716

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5525917168706616, total energy = -17.04070523213072

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: -17.040705
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.552591711375861, total energy = -17.04070523213072

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: -17.040705
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.552591714821757, total energy = -17.04070523213072

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: -17.040705
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.552591707860116, total energy = -17.040705232130716

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 3.334691850615342 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.5629143299451496, c = 4.135204061860464, total energy = -17.042875235240494

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 3.543110091278801 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.5629143267326207, c = 4.135204045830859, total energy = -17.042875235240487

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 3.75152833194226 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 2.5629143206058536, c = 4.135204088134176, total energy = -17.042875235240487

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 3.959946572605719 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.562914327160604, c = 4.135204055418682, total energy = -17.042875235240494

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 4.168364813269178 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 66
         Function evaluations: 138
Results for this minimization:
  a = 2.5629143244434207, c = 4.135204063414546, total energy = -17.04287523524049

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 4.376783053932637 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.5629143322327215, c = 4.13520405404998, total energy = -17.04287523524049

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 4.585201294596096 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.562914336612711, c = 4.135204022120457, total energy = -17.042875235240487

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 4.7936195352595545 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.562914338133263, c = 4.135204025030575, total energy = -17.042875235240494

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 5.0020377759230135 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.5629143231892657, c = 4.135204036871838, total energy = -17.042875235240487

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

 Final lattice Constants:
   a = 2.5629143299451496 Angstroms, c = 4.135204061860464 Angstroms, c/a = 1.613477

 Total energy: -17.042875235240494 eV

 Cohesive energy: -4.2607188088101235 eV/atom

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