Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
Computed model cutoff of 7.200000000074521 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: 446.467908
         Iterations: 30
         Function evaluations: 66
Results for this minimization:
  a = 1.031200885772705, total energy = 446.467908406058

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: 7.489392
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.6807743049459538, total energy = 7.489392082203621

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: 7.489392
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 1.6807743050158024, total energy = 7.48939208220362

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: 7.489392
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 1.6807743073673929, total energy = 7.4893920822036275

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: 7.489392
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 1.6807743096258498, total energy = 7.489392082203631

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: 7.489392
         Iterations: 31
         Function evaluations: 64
Results for this minimization:
  a = 1.6807743050158024, total energy = 7.4893920822036115

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: 7.489392
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 1.6807743085082616, total energy = 7.489392082203636

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: 7.489392
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.6807743076351471, total energy = 7.4893920822036115

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: -7.177095
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.82912656106055, total energy = -7.177095251658273

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: 7.452109
         Iterations: 31
         Function evaluations: 65
Results for this minimization:
  a = 2.264791211264675, total energy = 7.452108777486381

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: 7.452109
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.2647912108222954, total energy = 7.452108777486372

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: -7.177095
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.829126564040779, total energy = -7.1770952516582724

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: -7.177095
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.829126560827717, total energy = -7.177095251658275

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: -7.177095
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8291265493870017, total energy = -7.177095251658264

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: -7.177095
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.829126549325882, total energy = -7.177095251658258

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: -7.177095
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.829126551793887, total energy = -7.177095251658267

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: -7.177095
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 2.8291265621781347, total energy = -7.177095251658273

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: -7.177095
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.829126557917334, total energy = -7.177095251658267

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: -7.177095
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8291265600360918, total energy = -7.177095251658268

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: -7.177095
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8291265627369286, total energy = -7.17709525165827

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: -8.831422
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 4.940790999564342, total energy = -8.831422429177444

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: -8.831422
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.940790991485121, total energy = -8.831422429177438

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: -8.831422
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.940791010856628, total energy = -8.831422429177438

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: -8.831422
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 4.940790995978752, total energy = -8.831422429177442

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: -8.831422
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.940790987014771, total energy = -8.831422429177437

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: -8.831422
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.940791007503866, total energy = -8.831422429177442

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: -8.831422
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.940791000227907, total energy = -8.83142242917744

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: -8.831422
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.940791008732049, total energy = -8.83142242917744

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: -8.831422
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.940791004570203, total energy = -8.831422429177442

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: -8.831422
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 4.940790986642242, total energy = -8.831422429177438

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: -8.831422
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.940790993673725, total energy = -8.83142242917744

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: -8.831422
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.94079100001254, total energy = -8.831422429177442

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: -8.831422
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.940791011787951, total energy = -8.83142242917744

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: -8.831422
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.940790999901945, total energy = -8.83142242917744

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: -8.831422
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.940790989622473, total energy = -8.831422429177438

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: -8.831422
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.940791004407221, total energy = -8.83142242917744

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: -8.831422
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.940791003406046, total energy = -8.831422429177438

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: -8.831422
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.940790993045084, total energy = -8.831422429177438

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: -8.831422
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.940790999867019, total energy = -8.831422429177442

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: -8.831422
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.940790990367531, total energy = -8.83142242917744

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: -8.831422
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.940791010856626, total energy = -8.831422429177438

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: 36
         Function evaluations: 104
Results for this minimization:
  a = 7.656250000000005, 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: 36
         Function evaluations: 104
Results for this minimization:
  a = 7.8125, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 7.331250000000001, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 7.475000000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.287500000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.425000000000001, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.21875, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.3500000000000005, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.48125, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 7.25, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [4.940791] Angstroms and c = 6.454622333156428 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.831422
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 4.940791001951794, c = 8.068277908718386, total energy = -8.831422429177444

Attempting to perform relaxation using initial lattice constant guess of a = [4.940791] Angstroms and c = 6.858036228978705 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.831422
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 4.940791001879504, c = 8.068277906270925, total energy = -8.831422429177442

Attempting to perform relaxation using initial lattice constant guess of a = [4.940791] Angstroms and c = 7.261450124800981 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.831422
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 4.940790990149624, c = 8.068277907827216, total energy = -8.83142242917744

Attempting to perform relaxation using initial lattice constant guess of a = [4.940791] Angstroms and c = 7.6648640206232574 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.831422
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 4.940791004225799, c = 8.068277938682625, total energy = -8.831422429177442

Attempting to perform relaxation using initial lattice constant guess of a = [4.940791] Angstroms and c = 8.068277916445535 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.831422
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 4.940790999564342, c = 8.068277916445535, total energy = -8.831422429177444

Attempting to perform relaxation using initial lattice constant guess of a = [4.940791] Angstroms and c = 8.47169181226781 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.831422
         Iterations: 75
         Function evaluations: 152
Results for this minimization:
  a = 4.940790999987653, c = 8.068277891029817, total energy = -8.831422429177445

Attempting to perform relaxation using initial lattice constant guess of a = [4.940791] Angstroms and c = 8.875105708090086 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.831422
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 4.940791010223068, c = 8.068277931647934, total energy = -8.83142242917744

Attempting to perform relaxation using initial lattice constant guess of a = [4.940791] Angstroms and c = 9.278519603912363 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.831422
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 4.940791012724098, c = 8.068277879579906, total energy = -8.831422429177438

Attempting to perform relaxation using initial lattice constant guess of a = [4.940791] Angstroms and c = 9.68193349973464 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.831422
         Iterations: 78
         Function evaluations: 163
Results for this minimization:
  a = 4.940790995793652, c = 8.068277893240548, total energy = -8.83142242917744

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

 Final lattice Constants:
   a = 4.940790999987653 Angstroms, c = 8.068277891029817 Angstroms, c/a = 1.632993

 Total energy: -8.831422429177445 eV

 Cohesive energy: -2.2078556072943614 eV/atom

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