Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_003
Computed model cutoff of 4.8111030403524895 Angstroms
Computed isolated atomic energy of 7.771561172376096e-16 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 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 = 1.125 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 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 = 1.25 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 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 = 1.375 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 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 = 1.5 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.625 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 = 1.625 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 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 = 1.75 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


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: -17.726348
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.506024736096151, total energy = -17.726348263995245

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: -17.726348
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.506024733185769, total energy = -17.726348263995245

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: -17.726348
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5060247380286462, total energy = -17.72634826399523

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: -17.726348
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5060247258981696, total energy = -17.726348263995273

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: -17.726348
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.506024721637368, total energy = -17.72634826399525

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: -17.726348
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5060247275978327, total energy = -17.72634826399523

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: -17.726348
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5060247210785747, total energy = -17.72634826399523

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: -17.726348
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5060247336223243, total energy = -17.72634826399524

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: -17.726348
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.50602473533363, total energy = -17.72634826399523

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: -17.726348
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.506024730578064, total energy = -17.726348263995238

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: -17.726348
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5060247303918004, total energy = -17.726348263995217

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: -17.726348
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.506024712434736, total energy = -17.72634826399523

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 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 = 3.375 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.5 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 = 3.5 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


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: -17.726348
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.506024733642696, total energy = -17.726348263995234

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: -17.726348
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5060247301589698, total energy = -17.72634826399523

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: -17.726348
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.506024731870271, total energy = -17.72634826399522

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: -17.726348
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5060247305780634, total energy = -17.726348263995238

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: -17.726348
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.506024717167021, total energy = -17.726348263995213

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: -17.726348
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5060247178422257, total energy = -17.726348263995224

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 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 = 4.375 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.5 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 = 4.5 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.625 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 = 4.625 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.75 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 = 4.75 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.875 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 = 4.875 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.50602473] Angstroms and c = 3.273856992665916 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.479777452388494, c = 4.178883249868753, total energy = -17.749750022725305

Attempting to perform relaxation using initial lattice constant guess of a = [2.50602473] Angstroms and c = 3.4784730547075355 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.4797774784653677, c = 4.178883191548189, total energy = -17.749750022725294

Attempting to perform relaxation using initial lattice constant guess of a = [2.50602473] Angstroms and c = 3.683089116749155 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.479777467022698, c = 4.178883209997955, total energy = -17.749750022725298

Attempting to perform relaxation using initial lattice constant guess of a = [2.50602473] Angstroms and c = 3.8877051787907746 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 64
         Function evaluations: 143
Results for this minimization:
  a = 2.479777462385659, c = 4.17888327647111, total energy = -17.7497500227253

Attempting to perform relaxation using initial lattice constant guess of a = [2.50602473] Angstroms and c = 4.092321240832394 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 2.479777481271895, c = 4.178883308837577, total energy = -17.74975002272529

Attempting to perform relaxation using initial lattice constant guess of a = [2.50602473] Angstroms and c = 4.296937302874014 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.479777455484742, c = 4.1788832744739475, total energy = -17.749750022725305

Attempting to perform relaxation using initial lattice constant guess of a = [2.50602473] Angstroms and c = 4.501553364915633 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.479777465025644, c = 4.178883267990599, total energy = -17.749750022725305

Attempting to perform relaxation using initial lattice constant guess of a = [2.50602473] Angstroms and c = 4.706169426957253 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.4797774582112084, c = 4.178883177219762, total energy = -17.749750022725294

Attempting to perform relaxation using initial lattice constant guess of a = [2.50602473] Angstroms and c = 4.910785488998872 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.479777483765386, c = 4.178883207369436, total energy = -17.7497500227253

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

 Final lattice Constants:
   a = 2.479777452388494 Angstroms, c = 4.178883249868753 Angstroms, c/a = 1.685185

 Total energy: -17.749750022725305 eV

 Cohesive energy: -4.437437505681326 eV/atom

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