Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_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 = 2.5525917287915973, total energy = -17.040705232130726

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: 83
Results for this minimization:
  a = 2.552591721899808, total energy = -17.040705232130726

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5525917103514075, total energy = -17.040705232130726

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: 77
Results for this minimization:
  a = 2.55259171314538, total energy = -17.040705232130726

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: 80
Results for this minimization:
  a = 2.5525917290244275, total energy = -17.040705232130726

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: 75
Results for this minimization:
  a = 2.552591714519078, total energy = -17.040705232130733

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: 75
Results for this minimization:
  a = 2.5525917172431956, total energy = -17.040705232130723

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.552591721760109, total energy = -17.040705232130726

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 = -17.040705232130726

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.552591714262963, total energy = -17.040705232130723

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 = 2.552591713517905, total energy = -17.040705232130723

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.552591709070838, total energy = -17.040705232130726

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: 68
Results for this minimization:
  a = 2.5525917115155607, total energy = -17.040705232130723

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: 71
Results for this minimization:
  a = 2.552591722458601, total energy = -17.04070523213073

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: 70
Results for this minimization:
  a = 2.552591713145375, total energy = -17.040705232130726

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: 72
Results for this minimization:
  a = 2.5525917136576024, total energy = -17.040705232130726

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: 74
Results for this minimization:
  a = 2.5525917291641225, total energy = -17.040705232130723

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: 74
Results for this minimization:
  a = 2.5525917113554897, total energy = -17.040705232130726

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5525917220860714, total energy = -17.040705232130726

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 = -17.040705232130726

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: 77
Results for this minimization:
  a = 2.5525917224586, total energy = -17.04070523213073

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: 76
Results for this minimization:
  a = 2.552591725718228, total energy = -17.04070523213073

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: 76
Results for this minimization:
  a = 2.552591722458601, total energy = -17.040705232130726

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 = 2.5525917249033196, total energy = -17.040705232130723

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: 80
Results for this minimization:
  a = 2.55259172990918, total energy = -17.040705232130726

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: 79
Results for this minimization:
  a = 2.5525917182676503, total energy = -17.040705232130726

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: 81
Results for this minimization:
  a = 2.5525917142629595, total energy = -17.040705232130726

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: 78
Results for this minimization:
  a = 2.552591722458601, total energy = -17.040705232130723

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: 85
Results for this minimization:
  a = 2.5525917206425177, total energy = -17.040705232130726

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.552591725159435, total energy = -17.040705232130723

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 = 2.552591711282731, total energy = -17.04070523213073

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: 82
Results for this minimization:
  a = 2.5525917087681553, total energy = -17.040705232130723

==============================================================================
==============================================================================
 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 = 3.3346918518548314 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.5629143274245, c = 4.135204076913661, total energy = -17.042875235240494

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 3.543110092595758 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 63
         Function evaluations: 142
Results for this minimization:
  a = 2.562914352484378, c = 4.135204015956701, total energy = -17.042875235240487

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 3.751528333336685 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.5629143341613316, c = 4.135204032352681, total energy = -17.042875235240494

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 3.9599465740776116 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 63
         Function evaluations: 135
Results for this minimization:
  a = 2.56291432716557, c = 4.13520404683627, total energy = -17.042875235240498

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 4.168364814818538 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.5629143336882527, c = 4.135204035104876, total energy = -17.042875235240498

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 4.376783055559465 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.5629143377143384, c = 4.135204044231443, total energy = -17.042875235240494

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 4.585201296300392 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.5629143277008044, c = 4.13520408429395, total energy = -17.042875235240494

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 4.793619537041319 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 2.5629143341146796, c = 4.135204035169207, total energy = -17.04287523524049

Attempting to perform relaxation using initial lattice constant guess of a = [2.55259171] Angstroms and c = 5.002037777782245 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.562914324339518, c = 4.135204038505378, total energy = -17.042875235240494

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

 Final lattice Constants:
   a = 2.56291432716557 Angstroms, c = 4.13520404683627 Angstroms, c/a = 1.613477

 Total energy: -17.042875235240498 eV

 Cohesive energy: -4.260718808810124 eV/atom

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