Element = Lattice = Model = Element: H
Lattice: hcp
Model: EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003
Computed model cutoff of 2.7763235288113624 Angstroms
Computed isolated atomic energy of 0.0 eV for species H

==============================================================================
==============================================================================
 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: -7.805745
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 1.7152756020426767, total energy = -7.805744558266573

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: -7.805745
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 1.7152755785733462, total energy = -7.805744558266577

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: -7.805745
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 1.715275600552559, total energy = -7.805744558266572

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: -7.805745
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.7152755814138811, total energy = -7.805744558266576

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: -7.805745
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 1.7152755863964564, total energy = -7.805744558266576

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: -7.805745
         Iterations: 31
         Function evaluations: 67
Results for this minimization:
  a = 1.7152755870483816, total energy = -7.805744558266574

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: -7.805745
         Iterations: 31
         Function evaluations: 65
Results for this minimization:
  a = 1.7152755955699828, total energy = -7.805744558266575

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: -7.805745
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 1.7152755821007304, total energy = -7.805744558266575

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: -7.805745
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.715275597572326, total energy = -7.805744558266572

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: -7.805745
         Iterations: 34
         Function evaluations: 69
Results for this minimization:
  a = 1.7152755800110746, total energy = -7.805744558266574

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: -7.805745
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.7152755852788673, total energy = -7.805744558266574

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: -7.805745
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 1.7152755941497166, total energy = -7.805744558266576

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: -7.805745
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 1.7152755819261074, total energy = -7.805744558266573

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: -7.805745
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 1.7152755802497257, total energy = -7.805744558266576

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: -7.805745
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.715275588841176, total energy = -7.805744558266575

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [1.71527558] Angstroms and c = 2.240826632406343 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.714253
         Iterations: 121
         Function evaluations: 255
Results for this minimization:
  a = 4.696011420286999, c = 1.0855628571597817, total energy = -8.714252775918666

Attempting to perform relaxation using initial lattice constant guess of a = [1.71527558] Angstroms and c = 2.3808782969317397 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.714253
         Iterations: 135
         Function evaluations: 300
Results for this minimization:
  a = 4.963774958511021, c = 1.085562859425635, total energy = -8.714252775918315

Attempting to perform relaxation using initial lattice constant guess of a = [1.71527558] Angstroms and c = 2.5209299614571363 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.815322
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 1.8170891897382289, c = 2.5224053748080792, total energy = -7.815322147781255

Attempting to perform relaxation using initial lattice constant guess of a = [1.71527558] Angstroms and c = 2.660981625982533 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.714253
         Iterations: 111
         Function evaluations: 250
Results for this minimization:
  a = 4.88212141020081, c = 1.085562860110906, total energy = -8.714252775918316

Attempting to perform relaxation using initial lattice constant guess of a = [1.71527558] Angstroms and c = 2.8010332905079296 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.351339
         Iterations: 107
         Function evaluations: 231
Results for this minimization:
  a = 1.4596418474874913, c = 5.428608784685767, total energy = -8.35133921691975

Attempting to perform relaxation using initial lattice constant guess of a = [1.71527558] Angstroms and c = 2.9410849550333262 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.351339
         Iterations: 106
         Function evaluations: 229
Results for this minimization:
  a = 1.4596418503785713, c = 5.266987431694482, total energy = -8.351339216920094

Attempting to perform relaxation using initial lattice constant guess of a = [1.71527558] Angstroms and c = 3.081136619558723 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.351339
         Iterations: 85
         Function evaluations: 198
Results for this minimization:
  a = 1.4596418407545675, c = 5.3340686174092475, total energy = -8.351339216919747

Attempting to perform relaxation using initial lattice constant guess of a = [1.71527558] Angstroms and c = 3.2211882840841195 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.351339
         Iterations: 94
         Function evaluations: 218
Results for this minimization:
  a = 1.4596418436803904, c = 6.050908174789351, total energy = -8.35133921691975

Attempting to perform relaxation using initial lattice constant guess of a = [1.71527558] Angstroms and c = 3.361239948609516 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.351339
         Iterations: 89
         Function evaluations: 211
Results for this minimization:
  a = 1.4596418533955466, c = 5.556018309162986, total energy = -8.351339216919746