Element = Lattice = Model = Element: Si
Lattice: hcp
Model: Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
Computed model cutoff of 6.1961461409554275 Angstroms
Computed isolated atomic energy of 0.0 eV for species Si

==============================================================================
==============================================================================
 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: -22.311817
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.2858168497681652, total energy = -22.311817105305092

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: -22.311817
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.2858168470673252, total energy = -22.311817105305064

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: -22.311817
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.285816848045215, total energy = -22.31181710530506

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: -22.311817
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.2858168478414926, total energy = -22.31181710530507

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: -22.311817
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.2858168534934538, total energy = -22.31181710530502

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: -22.311817
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.285816852981226, total energy = -22.311817105305025

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: -22.311817
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.285816833749413, total energy = -22.311817105305025

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: -22.311817
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.285816850140691, total energy = -22.311817105305067

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: -22.311817
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.2858168363571174, total energy = -22.311817105305014

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: -22.311817
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.285816832236015, total energy = -22.311817105305025

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: -22.311817
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.285816847067326, total energy = -22.31181710530504

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: -22.311817
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.285816843109205, total energy = -22.31181710530505

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: -22.311817
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.2858168561942875, total energy = -22.31181710530503

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: -22.311817
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.285816831202828, total energy = -22.31181710530502

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: -15.176520
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.8410151652991775, total energy = -15.176520325804631

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: -15.176520
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8410151848802343, total energy = -15.176520325804608

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: -15.176520
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.841015166975557, total energy = -15.17652032580462

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: -22.311817
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.285816855583107, total energy = -22.31181710530505

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: -22.311817
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.285816847532986, total energy = -22.311817105305053

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: -22.311817
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.2858168308273874, total energy = -22.311817105305007

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: -22.311817
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.2858168402686703, total energy = -22.31181710530505

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: -22.311817
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.2858168551232634, total energy = -22.311817105305003

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: -1.429144
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.192348228767514, total energy = -1.4291439771505206

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: -1.429144
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 4.192348226861213, total energy = -1.4291439771505208

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: -1.429144
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.192348231375217, total energy = -1.4291439771505208

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: -1.429144
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 4.1923482251353565, total energy = -1.4291439771505208

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: -1.429144
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 4.192348220472922, total energy = -1.4291439771505208

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: -1.429144
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.1923482297570445, total energy = -1.4291439771505208

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: -1.429144
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 4.192348225833848, total energy = -1.4291439771505206

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: -1.429144
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.192348226346075, total energy = -1.4291439771505208

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: -1.429144
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.192348229326306, total energy = -1.4291439771505206

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: -1.429144
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.1923482308891815, total energy = -1.4291439771505206

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: -22.311817
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.285816853749566, total energy = -22.311817105305046

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: -22.311817
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.2858168581733422, total energy = -22.311817105305035

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.134926
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 5.726310954708605, total energy = -0.13492593292240468

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 36
         Function evaluations: 104
Results for this minimization:
  a = 6.718749999999997, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.134926
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 5.726310954429211, total energy = -0.13492593292240465

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 6.46875, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.134926
         Iterations: 34
         Function evaluations: 68
Results for this minimization:
  a = 5.726310954493237, total energy = -0.13492593292240468

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 6.4625, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.300000000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.43125, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 6.25, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.28581685] Angstroms and c = 2.9861786279403084 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.330127
         Iterations: 71
         Function evaluations: 144
Results for this minimization:
  a = 2.2726843121755618, c = 3.7694283501804002, total energy = -22.33012701646124

Attempting to perform relaxation using initial lattice constant guess of a = [2.28581685] Angstroms and c = 3.1728147921865775 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.330127
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.2726843024999774, c = 3.7694283441928214, total energy = -22.33012701646125

Attempting to perform relaxation using initial lattice constant guess of a = [2.28581685] Angstroms and c = 3.3594509564328465 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.330127
         Iterations: 69
         Function evaluations: 140
Results for this minimization:
  a = 2.272684309820187, c = 3.7694283634892094, total energy = -22.33012701646125

Attempting to perform relaxation using initial lattice constant guess of a = [2.28581685] Angstroms and c = 3.5460871206791156 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.330127
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 2.2726843154887613, c = 3.769428340183402, total energy = -22.330127016461258

Attempting to perform relaxation using initial lattice constant guess of a = [2.28581685] Angstroms and c = 3.7327232849253846 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.330127
         Iterations: 63
         Function evaluations: 135
Results for this minimization:
  a = 2.272684306047645, c = 3.769428367543208, total energy = -22.330127016461244

Attempting to perform relaxation using initial lattice constant guess of a = [2.28581685] Angstroms and c = 3.9193594491716537 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.330127
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.2726843001206367, c = 3.7694283321955737, total energy = -22.330127016461237

Attempting to perform relaxation using initial lattice constant guess of a = [2.28581685] Angstroms and c = 4.105995613417923 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.330127
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.2726843033087407, c = 3.769428365122386, total energy = -22.330127016461265

Attempting to perform relaxation using initial lattice constant guess of a = [2.28581685] Angstroms and c = 4.292631777664192 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.330127
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 2.2726842976056187, c = 3.7694283434079434, total energy = -22.33012701646125

Attempting to perform relaxation using initial lattice constant guess of a = [2.28581685] Angstroms and c = 4.479267941910461 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.330127
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.2726843033391777, c = 3.7694283422620156, total energy = -22.33012701646126

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

 Final lattice Constants:
   a = 2.2726843033087407 Angstroms, c = 3.769428365122386 Angstroms, c/a = 1.658580

 Total energy: -22.330127016461265 eV

 Cohesive energy: -5.582531754115316 eV/atom

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