Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
Computed model cutoff of 6.599972580932111 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ni

==============================================================================
==============================================================================
 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: -7.437249
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4744907319545777, total energy = -7.437248907135019

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: -7.437249
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.47449072226882, total energy = -7.437248907135026

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: -7.437249
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.4744907318381593, total energy = -7.437248907135028

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: -7.437249
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4744907066866335, total energy = -7.437248907135016

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: -7.437249
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4744907077401894, total energy = -7.437248907135019

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: -7.437249
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4744907117739805, total energy = -7.43724890713503

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: -7.437249
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.474490715377033, total energy = -7.437248907135027

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: -7.437249
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4744907316635363, total energy = -7.437248907135027

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: -7.437249
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.474490712583066, total energy = -7.437248907135025

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: -7.437249
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.474490728881211, total energy = -7.437248907135027

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: -7.437249
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.474490722268821, total energy = -7.437248907135028

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: -7.437249
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.474490711046382, total energy = -7.437248907135024

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: -7.437249
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4744907314889133, total energy = -7.437248907135024

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: -7.437249
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4744907205924385, total energy = -7.437248907135026

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: -7.437249
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4744907066226, total energy = -7.437248907135015

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: -7.437249
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.474490713514386, total energy = -7.437248907135022

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: -7.437249
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.474490709835662, total energy = -7.4372489071350305

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: -7.437249
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.474490717140725, total energy = -7.4372489071350225

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: -7.437249
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4744907111686185, total energy = -7.437248907135027

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: -7.437249
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.4744907172396773, total energy = -7.43724890713503

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: -7.437249
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.474490715377032, total energy = -7.437248907135025

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: -7.437249
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4744907279964514, total energy = -7.437248907135024

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: -7.437249
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4744907316635363, total energy = -7.437248907135026

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: -7.437249
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4744907139800447, total energy = -7.437248907135021

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: -7.437249
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.474490717984734, total energy = -7.437248907135023

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: -7.437249
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4744907066226016, total energy = -7.4372489071350145

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: -7.437249
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4744907241314618, total energy = -7.437248907135021

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: -7.437249
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.474490717781009, total energy = -7.437248907135031

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: -7.437249
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.474490705505009, total energy = -7.437248907135027

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: -7.437249
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.474490717239676, total energy = -7.437248907135029

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: -7.437249
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.474490711046384, total energy = -7.437248907135028

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: -7.437249
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4744907133630436, total energy = -7.4372489071350225

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: -7.437249
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4744907318381593, total energy = -7.437248907135026

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: -7.437249
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4744907139916847, total energy = -7.437248907135031

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: -7.437249
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.474490729393435, total energy = -7.437248907135025

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: -7.437249
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4744907187297964, total energy = -7.43724890713503

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: -7.437249
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4744907132815532, total energy = -7.437248907135024

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: -7.437249
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4744907314889133, total energy = -7.437248907135026

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: -7.437249
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4744907167274435, total energy = -7.437248907135022

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: -7.437249
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.4744907124200823, total energy = -7.437248907135037

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: -7.437249
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.4744907022919422, total energy = -7.437248907135018

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: -7.437249
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.4744907287415074, total energy = -7.437248907135027

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: -7.437249
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.4744907271815464, total energy = -7.437248907135033

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.437249
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4744907166110335, total energy = -7.437248907135027

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.437249
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.474490724410855, total energy = -7.437248907135038

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.437249
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.474490719044107, total energy = -7.437248907135031

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.47449072] Angstroms and c = 3.2326611456301366 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.437281
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.4753148609517037, c = 4.038104841280663, total energy = -7.437281206944422

Attempting to perform relaxation using initial lattice constant guess of a = [2.47449072] Angstroms and c = 3.4347024672320203 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.437281
         Iterations: 75
         Function evaluations: 151
Results for this minimization:
  a = 2.4753148734112957, c = 4.038104823599855, total energy = -7.437281206944422

Attempting to perform relaxation using initial lattice constant guess of a = [2.47449072] Angstroms and c = 3.636743788833904 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.437281
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.475314864848852, c = 4.038104832322871, total energy = -7.4372812069444185

Attempting to perform relaxation using initial lattice constant guess of a = [2.47449072] Angstroms and c = 3.8387851104357877 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.437281
         Iterations: 70
         Function evaluations: 145
Results for this minimization:
  a = 2.4753148676596197, c = 4.038104867309656, total energy = -7.437281206944424

Attempting to perform relaxation using initial lattice constant guess of a = [2.47449072] Angstroms and c = 4.0408264320376714 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.437281
         Iterations: 60
         Function evaluations: 132
Results for this minimization:
  a = 2.4753148558342613, c = 4.038104844497491, total energy = -7.437281206944427

Attempting to perform relaxation using initial lattice constant guess of a = [2.47449072] Angstroms and c = 4.242867753639555 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.437281
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.47531485832406, c = 4.0381048580793095, total energy = -7.437281206944421

Attempting to perform relaxation using initial lattice constant guess of a = [2.47449072] Angstroms and c = 4.444909075241439 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.437281
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.475314868554583, c = 4.03810487296339, total energy = -7.437281206944427

Attempting to perform relaxation using initial lattice constant guess of a = [2.47449072] Angstroms and c = 4.646950396843323 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.437281
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.4753148739680735, c = 4.038104877750426, total energy = -7.437281206944421

Attempting to perform relaxation using initial lattice constant guess of a = [2.47449072] Angstroms and c = 4.848991718445206 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.437281
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.4753148734450483, c = 4.038104861558937, total energy = -7.437281206944424

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

 Final lattice Constants:
   a = 2.4753148558342613 Angstroms, c = 4.038104844497491 Angstroms, c/a = 1.631350

 Total energy: -7.437281206944427 eV

 Cohesive energy: -1.8593203017361069 eV/atom

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