Element = Lattice = Model = Element: Co
Lattice: hcp
Model: Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
Computed model cutoff of 6.5999726565555035 Angstroms
Computed isolated atomic energy of 0.0 eV for species Co

==============================================================================
==============================================================================
 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: -7.343319
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.482981829345229, total energy = -7.343319243800695

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: -7.343319
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.48298183849547, total energy = -7.3433192438006945

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: -7.343319
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4829818232683465, total energy = -7.343319243800709

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: -7.343319
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.482981831091461, total energy = -7.343319243800704

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: -7.343319
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.48298181705177, total energy = -7.343319243800697

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: -7.343319
         Iterations: 36
         Function evaluations: 73
Results for this minimization:
  a = 2.482981816702523, total energy = -7.343319243800694

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: -7.343319
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4829818259109753, total energy = -7.3433192438007

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: -7.343319
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4829818232683465, total energy = -7.343319243800709

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: -7.343319
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4829818338155762, total energy = -7.343319243800696

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: -7.343319
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.482981826085598, total energy = -7.343319243800705

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: -7.343319
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4829818384954714, total energy = -7.343319243800696

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: -7.343319
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.4829818310216067, total energy = -7.343319243800702

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: -7.343319
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4829818272264674, total energy = -7.3433192438007096

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: -7.343319
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.482981831859797, total energy = -7.3433192438007024

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: -7.343319
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4829818144440647, total energy = -7.343319243800697

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: -7.343319
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4829818158876136, total energy = -7.343319243800698

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: -7.343319
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4829818164929724, total energy = -7.343319243800694

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: -7.343319
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4829818308353424, total energy = -7.343319243800696

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: -7.343319
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.482981831836514, total energy = -7.343319243800701

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: -7.343319
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.482981812302023, total energy = -7.3433192438007

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: -7.343319
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4829818272963164, total energy = -7.343319243800704

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: -7.343319
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.482981828576883, total energy = -7.3433192438006945

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: -7.343319
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.482981827808544, total energy = -7.343319243800696

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: -7.343319
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.482981822267171, total energy = -7.3433192438007

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: -7.343319
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.4829818309284737, total energy = -7.343319243800703

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: -7.343319
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.482981821295108, total energy = -7.343319243800702

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: -7.343319
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4829818260855943, total energy = -7.343319243800708

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: -7.343319
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4829818232828984, total energy = -7.343319243800708

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: -7.343319
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.482981833256776, total energy = -7.343319243800698

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: -7.343319
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4829818322090427, total energy = -7.3433192438006945

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: -7.343319
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4829818173078837, total energy = -7.343319243800702

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: -7.343319
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.482981832139191, total energy = -7.343319243800699

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: -7.343319
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4829818232683465, total energy = -7.3433192438007024

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: -7.343319
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4829818371217636, total energy = -7.343319243800693

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: -7.343319
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4829818318597954, total energy = -7.3433192438007024

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: -7.343319
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.4829818256897873, total energy = -7.343319243800702

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: -7.343319
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.482981832115907, total energy = -7.343319243800703

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: -7.343319
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.482981818378903, total energy = -7.343319243800695

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: -7.343319
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.48298182981088, total energy = -7.343319243800705

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: -7.343319
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.4829818222438904, total energy = -7.343319243800699

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: -7.343319
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.4829818159341723, total energy = -7.3433192438007

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: -7.343319
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.482981825992461, total energy = -7.343319243800699

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: -7.343319
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4829818308353424, total energy = -7.343319243800697

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: -7.343319
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.4829818195052207, total energy = -7.343319243800695

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: -7.343319
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 2.482981830928468, total energy = -7.343319243800705

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: -7.343319
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4829818359576077, total energy = -7.3433192438007096

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.48298183] Angstroms and c = 3.243753875897742 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.343345
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.4837209041352084, c = 4.052235033902687, total energy = -7.3433449849194865

Attempting to perform relaxation using initial lattice constant guess of a = [2.48298183] Angstroms and c = 3.4464884931413504 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.343345
         Iterations: 80
         Function evaluations: 164
Results for this minimization:
  a = 2.483720902068479, c = 4.05223499896952, total energy = -7.343344984919483

Attempting to perform relaxation using initial lattice constant guess of a = [2.48298183] Angstroms and c = 3.649223110384959 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.343345
         Iterations: 77
         Function evaluations: 157
Results for this minimization:
  a = 2.4837209157161677, c = 4.052235041459857, total energy = -7.34334498491949

Attempting to perform relaxation using initial lattice constant guess of a = [2.48298183] Angstroms and c = 3.8519577276285677 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.343345
         Iterations: 78
         Function evaluations: 154
Results for this minimization:
  a = 2.483720905971139, c = 4.052235042884448, total energy = -7.343344984919485

Attempting to perform relaxation using initial lattice constant guess of a = [2.48298183] Angstroms and c = 4.054692344872176 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.343345
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.48372089744504, c = 4.052235041975045, total energy = -7.34334498491949

Attempting to perform relaxation using initial lattice constant guess of a = [2.48298183] Angstroms and c = 4.257426962115785 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.343345
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.483720901126186, c = 4.052235050115587, total energy = -7.343344984919484

Attempting to perform relaxation using initial lattice constant guess of a = [2.48298183] Angstroms and c = 4.460161579359394 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.343345
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.483720905674563, c = 4.052235062482992, total energy = -7.343344984919484

Attempting to perform relaxation using initial lattice constant guess of a = [2.48298183] Angstroms and c = 4.662896196603002 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.343345
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.4837209089990324, c = 4.0522350438430745, total energy = -7.3433449849194865

Attempting to perform relaxation using initial lattice constant guess of a = [2.48298183] Angstroms and c = 4.865630813846611 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.343345
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.4837209273901104, c = 4.052235026270495, total energy = -7.343344984919488

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

 Final lattice Constants:
   a = 2.4837209157161677 Angstroms, c = 4.052235041459857 Angstroms, c/a = 1.631518

 Total energy: -7.34334498491949 eV

 Cohesive energy: -1.8358362462298725 eV/atom

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