Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_000
Computed model cutoff of 3.9991573619842535 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: -17.716250
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.4904242284596005, total energy = -17.716249884574957

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: -17.716250
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.490424224198796, total energy = -17.716249884574957

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: -17.716250
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.490424230694771, total energy = -17.716249884574953

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: -17.716250
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.490424224734311, total energy = -17.716249884574953

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: -17.716250
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.490424235165121, total energy = -17.716249884574957

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: -17.716250
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4904242280870683, total energy = -17.716249884574957

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: -17.716250
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.490424230508507, total energy = -17.71624988457496

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: -17.716250
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4904242338379845, total energy = -17.716249884574957

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: -17.716250
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.490424221754076, total energy = -17.716249884574953

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: -17.716250
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4904242349788555, total energy = -17.716249884574957

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: -17.716250
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4904242306947717, total energy = -17.716249884574957

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: -17.716250
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4904242342512593, total energy = -17.716249884574957

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: -17.716250
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.4904242195189, total energy = -17.71624988457495

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: -17.716250
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.4904242242337196, total energy = -17.716249884574957

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: -17.716250
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.490424224478192, total energy = -17.716249884574957

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: -17.716250
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4904242280870665, total energy = -17.716249884574957

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: -17.716250
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4904242216143744, total energy = -17.716249884574957

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: -17.716250
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.490424234420061, total energy = -17.716249884574957

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: -17.716250
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.490424232627264, total energy = -17.716249884574957

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: -17.716250
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4904242306161897, total energy = -17.716249884574957

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: -17.716250
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4904242292046543, total energy = -17.716249884574957

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: -17.716250
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.490424227240143, total energy = -17.716249884574957

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: -17.716250
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4904242334887385, total energy = -17.716249884574953

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: -17.716250
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4904242232441867, total energy = -17.716249884574953

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: -17.716250
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.490424239635467, total energy = -17.716249884574957

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49042423] Angstroms and c = 3.2534765908316143 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 74
         Function evaluations: 151
Results for this minimization:
  a = 2.48316898539327, c = 4.090687373178945, total energy = -17.718102437227277

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042423] Angstroms and c = 3.4568188777585904 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 2.4831689843703826, c = 4.090687362302415, total energy = -17.718102437227273

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042423] Angstroms and c = 3.6601611646855665 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 67
         Function evaluations: 139
Results for this minimization:
  a = 2.483168965996649, c = 4.090687378031248, total energy = -17.71810243722727

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042423] Angstroms and c = 3.8635034516125426 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 2.4831689844899767, c = 4.0906873694518415, total energy = -17.718102437227277

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042423] Angstroms and c = 4.066845738539518 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 62
         Function evaluations: 136
Results for this minimization:
  a = 2.4831689829993264, c = 4.090687366054306, total energy = -17.718102437227277

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042423] Angstroms and c = 4.270188025466495 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.4831689940253074, c = 4.090687351776759, total energy = -17.71810243722727

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042423] Angstroms and c = 4.473530312393471 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.483168987428732, c = 4.090687362759647, total energy = -17.71810243722728

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042423] Angstroms and c = 4.676872599320447 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.4831689851195637, c = 4.0906873398448536, total energy = -17.718102437227273

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042423] Angstroms and c = 4.880214886247423 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.483168986689953, c = 4.090687365473114, total energy = -17.718102437227277

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

 Final lattice Constants:
   a = 2.483168987428732 Angstroms, c = 4.090687362759647 Angstroms, c/a = 1.647366

 Total energy: -17.71810243722728 eV

 Cohesive energy: -4.42952560930682 eV/atom

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