Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_000
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

==============================================================================
==============================================================================
 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: -23.031018
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7709740638732954, total energy = -23.03101783763002

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: -23.031018
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.770974071254023, total energy = -23.03101783763003

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: -23.031018
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7709740698337555, total energy = -23.031017837630024

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: -23.031018
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.77097406433896, total energy = -23.031017837630024

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: -23.031018
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.770974067971113, total energy = -23.031017837630028

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: -23.031018
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7709740759339208, total energy = -23.03101783763003

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: -23.031018
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.770974070206285, total energy = -23.03101783763003

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: -23.031018
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7709740655263886, total energy = -23.031017837630024

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: -23.031018
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.770974057912829, total energy = -23.03101783763002

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: -23.031018
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7709740646183505, total energy = -23.03101783763002

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: -23.031018
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7709740668535243, total energy = -23.031017837630028

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: -23.031018
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.7709740603342636, total energy = -23.031017837630024

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: -23.031018
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7709740677382797, total energy = -23.03101783763003

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: -23.031018
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.770974062383175, total energy = -23.031017837630024

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: -23.031018
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7709740639547826, total energy = -23.031017837630028

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: -23.031018
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7709740710444732, total energy = -23.031017837630024

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: -23.031018
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7709740802645673, total energy = -23.03101783763002

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: -23.031018
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7709740679711103, total energy = -23.031017837630024

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: -23.031018
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7709740668535234, total energy = -23.03101783763002

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: -23.031018
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.770974081940948, total energy = -23.031017837630024

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: -23.031018
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7709740574937305, total energy = -23.031017837630017

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: -23.031018
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7709740784019212, total energy = -23.03101783763003

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: -23.031018
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.770974062383175, total energy = -23.03101783763002

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: -23.031018
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.770974070020017, total energy = -23.031017837630024

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: -23.031018
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.7709740696474903, total energy = -23.031017837630024

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: -23.031018
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.770974067412318, total energy = -23.031017837630024

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: -23.031018
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7709740781749113, total energy = -23.031017837630024

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: -23.031018
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7709740624850383, total energy = -23.03101783763002

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: -23.031018
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7709740735590422, total energy = -23.03101783763003

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: -23.031018
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.770974066108464, total energy = -23.031017837630024

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.77097407] Angstroms and c = 3.6199853680292655 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.031685
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.766404922500535, c = 4.539980281744672, total energy = -23.031684715512938

Attempting to perform relaxation using initial lattice constant guess of a = [2.77097407] Angstroms and c = 3.8462344535310944 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.031685
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.766404935388982, c = 4.5399802466842, total energy = -23.03168471551293

Attempting to perform relaxation using initial lattice constant guess of a = [2.77097407] Angstroms and c = 4.072483539032923 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.031685
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.7664049195636204, c = 4.539980296483211, total energy = -23.03168471551293

Attempting to perform relaxation using initial lattice constant guess of a = [2.77097407] Angstroms and c = 4.298732624534752 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.031685
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.7664049288494073, c = 4.539980233155558, total energy = -23.03168471551293

Attempting to perform relaxation using initial lattice constant guess of a = [2.77097407] Angstroms and c = 4.524981710036581 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.031685
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.7664049278223564, c = 4.539980254034912, total energy = -23.031684715512938

Attempting to perform relaxation using initial lattice constant guess of a = [2.77097407] Angstroms and c = 4.75123079553841 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.031685
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.766404932039352, c = 4.53998026631692, total energy = -23.031684715512935

Attempting to perform relaxation using initial lattice constant guess of a = [2.77097407] Angstroms and c = 4.977479881040239 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.031685
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.7664049309447782, c = 4.539980267356513, total energy = -23.031684715512935

Attempting to perform relaxation using initial lattice constant guess of a = [2.77097407] Angstroms and c = 5.203728966542068 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.031685
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.7664049139675924, c = 4.539980293967053, total energy = -23.03168471551293

Attempting to perform relaxation using initial lattice constant guess of a = [2.77097407] Angstroms and c = 5.4299780520438965 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.031685
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.7664049264621484, c = 4.539980260785313, total energy = -23.031684715512935

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

 Final lattice Constants:
   a = 2.766404922500535 Angstroms, c = 4.539980281744672 Angstroms, c/a = 1.641112

 Total energy: -23.031684715512938 eV

 Cohesive energy: -5.7579211788782345 eV/atom

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