Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_001
Computed model cutoff of 5.000000004544876 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: -17.759464
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.4911351673305067, total energy = -17.759463837616195

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: -17.759464
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.491135165281593, total energy = -17.75946383761619

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: -17.759464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4911351650953293, total energy = -17.759463837616188

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: -17.759464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.491135165141901, total energy = -17.759463837616195

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: -17.759464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.491135162627326, total energy = -17.7594638376162

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: -17.759464
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4911351649090654, total energy = -17.75946383761619

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: -17.759464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4911351621150972, total energy = -17.759463837616188

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: -17.759464
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.491135172720533, total energy = -17.759463837616195

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: -17.759464
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.491135156154634, total energy = -17.759463837616185

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: -17.759464
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4911351665388803, total energy = -17.759463837616195

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: -17.759464
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4911351636052133, total energy = -17.75946383761619

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: -17.759464
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4911351696762725, total energy = -17.759463837616195

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: -17.759464
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.491135150194168, total energy = -17.75946383761618

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: -17.759464
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4911351683898824, total energy = -17.759463837616195

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: -17.759464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.491135164629668, total energy = -17.759463837616195

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: -17.759464
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4911351635673773, total energy = -17.75946383761619

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: -17.759464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4911351691931474, total energy = -17.75946383761619

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: -17.759464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.491135175805539, total energy = -17.759463837616202

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: -17.759464
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.491135162487625, total energy = -17.75946383761619

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: -17.759464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.49113516465295, total energy = -17.75946383761619

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: -17.759464
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4911351673305027, total energy = -17.75946383761619

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: -17.759464
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.491135165374724, total energy = -17.75946383761619

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: -17.759464
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.49113517254591, total energy = -17.75946383761619

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: -17.759464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.491135174501683, total energy = -17.75946383761619

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: -17.759464
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4911351665854444, total energy = -17.759463837616195

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: -17.759464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4911351666785793, total energy = -17.7594638376162

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: -17.759464
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4911351704969977, total energy = -17.7594638376162

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: -17.759464
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.491135175805539, total energy = -17.7594638376162

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: -17.759464
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.491135163605208, total energy = -17.75946383761619

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: -17.759464
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4911351684189853, total energy = -17.759463837616195

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: -17.759464
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4911351757589744, total energy = -17.7594638376162

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: -17.759464
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.491135162544375, total energy = -17.7594638376162

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: -17.759464
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4911351705668494, total energy = -17.759463837616195

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: -17.759464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4911351725095248, total energy = -17.75946383761619

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49113518] Angstroms and c = 3.2544053658784198 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.4865046609230834, c = 4.083145414491023, total energy = -17.760109880912285

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113518] Angstroms and c = 3.457805701245821 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.4865046742136028, c = 4.083145391672051, total energy = -17.760109880912292

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113518] Angstroms and c = 3.661206036613222 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.4865046930299606, c = 4.0831454147834485, total energy = -17.760109880912285

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113518] Angstroms and c = 3.8646063719806234 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 69
         Function evaluations: 143
Results for this minimization:
  a = 2.486504679019177, c = 4.0831454356140995, total energy = -17.760109880912285

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113518] Angstroms and c = 4.068006707348024 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.4865046851738706, c = 4.083145351147955, total energy = -17.76010988091229

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113518] Angstroms and c = 4.271407042715426 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.4865046870345533, c = 4.0831453842634415, total energy = -17.76010988091229

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113518] Angstroms and c = 4.4748073780828275 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.4865046829643407, c = 4.083145407116795, total energy = -17.76010988091229

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113518] Angstroms and c = 4.678207713450228 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 81
         Function evaluations: 164
Results for this minimization:
  a = 2.4865046786464795, c = 4.083145356451991, total energy = -17.760109880912292

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113518] Angstroms and c = 4.881608048817629 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.4865046707031158, c = 4.083145362344032, total energy = -17.76010988091229

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

 Final lattice Constants:
   a = 2.4865046742136028 Angstroms, c = 4.083145391672051 Angstroms, c/a = 1.642123

 Total energy: -17.760109880912292 eV

 Cohesive energy: -4.440027470228073 eV/atom

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