Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
Computed model cutoff of 7.286399959921853 Angstroms
Computed isolated atomic energy of -3.6476901029331974 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: -1.695568
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.52555976230652, total energy = -1.6955678821250597

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: -1.695568
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 4.525559762120245, total energy = -1.6955678821250562

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: -1.695568
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.525559784844518, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.525559757649912, total energy = -1.6955678821250562

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: -1.695568
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.5255597623996495, total energy = -1.6955678821250562

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: -1.695568
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.525559741258625, total energy = -1.6955678821250562

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: -1.695568
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.525559728033841, total energy = -1.6955678821250562

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: -1.695568
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.525559708476067, total energy = -1.6955678821250455

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: -1.695568
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.525559753179557, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.525559782236817, total energy = -1.695567882125049

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: -1.695568
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.525559762120245, total energy = -1.6955678821250562

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: 4.227901
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.924212550511582, total energy = 4.227901473374088

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: 4.227901
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.924212515237741, total energy = 4.227901473374093

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: 4.227901
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.924212547997013, total energy = 4.227901473374084

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: 4.227901
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.92421258368413, total energy = 4.2279014733740965

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: 4.227901
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9242125349119314, total energy = 4.227901473374089

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: 4.227901
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9242125757969912, total energy = 4.227901473374093

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: -1.695568
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.52555974945426, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.525559741409964, total energy = -1.6955678821250562

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: -1.695568
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.525559762120251, total energy = -1.6955678821250562

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: -1.695568
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.525559729337692, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.5255597393959786, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.525559708476067, total energy = -1.6955678821250455

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: -1.695568
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.525559748895467, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.525559762120248, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 4.525559757649899, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 4.525559794902803, total energy = -1.695567882125049

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: -1.695568
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.525559708679793, total energy = -1.695567882125049

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: -1.695568
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.525559762120246, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 4.525559782981873, total energy = -1.695567882125049

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: -1.695568
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.525559741258622, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.525559747312217, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.525559782981873, total energy = -1.695567882125049

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: -1.695568
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.525559758231973, total energy = -1.6955678821250562

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: -1.695568
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.525559786707163, total energy = -1.695567882125049

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: -1.695568
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.525559770315883, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.52555974125862, total energy = -1.6955678821250526

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: -1.695568
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.525559737812728, total energy = -1.6955678821250526

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: -0.169405
         Iterations: 35
         Function evaluations: 80
Results for this minimization:
  a = 6.59833085536957, total energy = -0.16940509776872759

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: -0.169405
         Iterations: 34
         Function evaluations: 77
Results for this minimization:
  a = 6.598330898582937, total energy = -0.16940509776872759

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: -0.169405
         Iterations: 34
         Function evaluations: 78
Results for this minimization:
  a = 6.598330879211428, total energy = -0.16940509776872759

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: -0.169405
         Iterations: 34
         Function evaluations: 78
Results for this minimization:
  a = 6.598330926895142, total energy = -0.16940509776872759

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: -0.169405
         Iterations: 33
         Function evaluations: 75
Results for this minimization:
  a = 6.59833088517189, total energy = -0.16940509776872759

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: -0.169405
         Iterations: 33
         Function evaluations: 75
Results for this minimization:
  a = 6.598330888152124, total energy = -0.16940509776872759

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: -0.169405
         Iterations: 33
         Function evaluations: 76
Results for this minimization:
  a = 6.598330867290496, total energy = -0.16940509776872759

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: -0.169405
         Iterations: 33
         Function evaluations: 76
Results for this minimization:
  a = 6.598330858349801, total energy = -0.16940509776872759

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.169405
         Iterations: 33
         Function evaluations: 75
Results for this minimization:
  a = 6.598330897092819, total energy = -0.16940509776872759

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.169405
         Iterations: 34
         Function evaluations: 77
Results for this minimization:
  a = 6.598330892622471, total energy = -0.16940509776872759

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.169405
         Iterations: 34
         Function evaluations: 77
Results for this minimization:
  a = 6.598330926895143, total energy = -0.16940509776872759

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.169405
         Iterations: 34
         Function evaluations: 77
Results for this minimization:
  a = 6.598330874741077, total energy = -0.16940509776872759

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.169405
         Iterations: 35
         Function evaluations: 79
Results for this minimization:
  a = 6.598330923914908, total energy = -0.16940509776872759

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.169405
         Iterations: 35
         Function evaluations: 79
Results for this minimization:
  a = 6.598330932855607, total energy = -0.16940509776872759

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


Attempting to perform relaxation using initial lattice constant guess of a = [4.52555976] Angstroms and c = 5.912166516331785 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.695568
         Iterations: 78
         Function evaluations: 160
Results for this minimization:
  a = 4.525559720907831, c = 7.390208185886577, total energy = -1.6955678821250526

Attempting to perform relaxation using initial lattice constant guess of a = [4.52555976] Angstroms and c = 6.281676923602522 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.695568
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 4.5255597779067305, c = 7.39020798697547, total energy = -1.695567882125049

Attempting to perform relaxation using initial lattice constant guess of a = [4.52555976] Angstroms and c = 6.651187330873258 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.695568
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 4.525559760574495, c = 7.39020814426893, total energy = -1.6955678821250526

Attempting to perform relaxation using initial lattice constant guess of a = [4.52555976] Angstroms and c = 7.020697738143994 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.695568
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 4.525559753993075, c = 7.3902081245758575, total energy = -1.6955678821250526

Attempting to perform relaxation using initial lattice constant guess of a = [4.52555976] Angstroms and c = 7.39020814541473 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.695568
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 4.52555974960538, c = 7.390208181485158, total energy = -1.6955678821250526

Attempting to perform relaxation using initial lattice constant guess of a = [4.52555976] Angstroms and c = 7.759718552685467 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.695568
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 4.5255597736732565, c = 7.390207987633554, total energy = -1.695567882125049

Attempting to perform relaxation using initial lattice constant guess of a = [4.52555976] Angstroms and c = 8.129228959956203 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.695568
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 4.5255597618057335, c = 7.3902080977402225, total energy = -1.6955678821250526

Attempting to perform relaxation using initial lattice constant guess of a = [4.52555976] Angstroms and c = 8.49873936722694 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.695568
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 4.52555974714973, c = 7.390208072649177, total energy = -1.6955678821250526

Attempting to perform relaxation using initial lattice constant guess of a = [4.52555976] Angstroms and c = 8.868249774497675 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.695568
         Iterations: 72
         Function evaluations: 160
Results for this minimization:
  a = 4.5255597848762825, c = 7.390208171899695, total energy = -1.695567882125049

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

 Final lattice Constants:
   a = [4.52555976] Angstroms, c = [7.39020815] Angstroms, c/a = 1.632993

 Total energy: -1.6955678821250597 eV

 Cohesive energy: -0.42389197053126493 eV/atom

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