Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_000
Computed model cutoff of 3.999999990463257 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: -14.122558
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.5608194261789357, total energy = -14.122557886816045

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: -14.122558
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.5608194315806037, total energy = -14.12255788681604

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: -14.122558
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5608194310916588, total energy = -14.12255788681604

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: -14.122558
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.560819418262695, total energy = -14.122557886816042

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: -14.122558
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.560819436330351, total energy = -14.122557886816038

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: -14.122558
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.560819436609747, total energy = -14.122557886816038

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: -14.122558
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5608194335363814, total energy = -14.122557886816042

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: -14.122558
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5608194324886426, total energy = -14.122557886816038

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: -14.122558
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.560819429531695, total energy = -14.122557886816036

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: -14.122558
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5608194254338743, total energy = -14.12255788681604

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: -14.122558
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5608194361906502, total energy = -14.122557886816038

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: -14.122558
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.56081942776218, total energy = -14.122557886816042

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: -14.122558
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.5608194321393967, total energy = -14.12255788681604

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: -14.122558
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.5608194276690486, total energy = -14.122557886816038

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: -14.122558
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5608194331172847, total energy = -14.122557886816042

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: -14.122558
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.560819430556148, total energy = -14.122557886816038

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: -14.122558
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.560819428786634, total energy = -14.12255788681604

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: -14.122558
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5608194386586547, total energy = -14.12255788681604

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: -14.122558
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5608194329775866, total energy = -14.12255788681604

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: -14.122558
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5608194332569827, total energy = -14.122557886816042

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: -14.122558
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.560819438181351, total energy = -14.122557886816038

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: -14.122558
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.560819424956569, total energy = -14.122557886816042

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: -14.122558
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.560819437727332, total energy = -14.122557886816038

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: -14.122558
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.560819435119626, total energy = -14.122557886816034

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: -14.122558
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5608194336295123, total energy = -14.122557886816038

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.56081943] Angstroms and c = 3.345440489357444 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.123200
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.5555774008967203, c = 4.199006083652819, total energy = -14.123200190381553

Attempting to perform relaxation using initial lattice constant guess of a = [2.56081943] Angstroms and c = 3.554530519942284 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.123200
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.555577415941394, c = 4.199006119565886, total energy = -14.123200190381555

Attempting to perform relaxation using initial lattice constant guess of a = [2.56081943] Angstroms and c = 3.7636205505271243 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.123200
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.5555774102502964, c = 4.1990061290819405, total energy = -14.123200190381558

Attempting to perform relaxation using initial lattice constant guess of a = [2.56081943] Angstroms and c = 3.9727105811119645 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.123200
         Iterations: 67
         Function evaluations: 138
Results for this minimization:
  a = 2.555577412551945, c = 4.199006118472253, total energy = -14.123200190381556

Attempting to perform relaxation using initial lattice constant guess of a = [2.56081943] Angstroms and c = 4.181800611696804 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.123200
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.555577399737323, c = 4.199006152692513, total energy = -14.123200190381555

Attempting to perform relaxation using initial lattice constant guess of a = [2.56081943] Angstroms and c = 4.390890642281645 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.123200
         Iterations: 72
         Function evaluations: 147
Results for this minimization:
  a = 2.5555774015413877, c = 4.1990060961954425, total energy = -14.123200190381555

Attempting to perform relaxation using initial lattice constant guess of a = [2.56081943] Angstroms and c = 4.599980672866485 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.123200
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.5555773969457958, c = 4.199006120093209, total energy = -14.12320019038156

Attempting to perform relaxation using initial lattice constant guess of a = [2.56081943] Angstroms and c = 4.809070703451326 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.123200
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.5555774135348024, c = 4.19900612057824, total energy = -14.123200190381556

Attempting to perform relaxation using initial lattice constant guess of a = [2.56081943] Angstroms and c = 5.018160734036165 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.123200
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.555577398628221, c = 4.199006143908019, total energy = -14.123200190381558

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

 Final lattice Constants:
   a = 2.5555773969457958 Angstroms, c = 4.199006120093209 Angstroms, c/a = 1.643075

 Total energy: -14.12320019038156 eV

 Cohesive energy: -3.53080004759539 eV/atom

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