Element = Lattice = Model = Element: He
Lattice: hcp
Model: EAM_Dynamo_ZhouBarteltSills_2021_PdHHe__MO_865505436319_000
Computed model cutoff of 1.7298649720848027 Angstroms
Computed isolated atomic energy of 1.40846778 eV for species He

==============================================================================
==============================================================================
 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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.875 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 = 1.875 Angstroms
Exception message:
Calling kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.0 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 = 2.0 Angstroms
Exception message:
Calling kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.125 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 = 2.125 Angstroms
Exception message:
Calling kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


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: -5.633871
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.461429579742253, total energy = -5.633871191418018

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: -5.633871
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4613521158695217, total energy = -5.6338711194906965

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: -5.633871
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.461429580114782, total energy = -5.633871191418018

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 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 = 2.625 Angstroms
Exception message:
Calling kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

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 = [2.46142958] Angstroms and c = 3.2155981376862712 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.633871
         Iterations: 67
         Function evaluations: 172
Results for this minimization:
  a = 2.6189430403201097, c = 3.561903529923245, total energy = -5.633871191418018

Attempting to perform relaxation using initial lattice constant guess of a = [2.46142958] Angstroms and c = 3.416573021291663 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.633871
         Iterations: 72
         Function evaluations: 176
Results for this minimization:
  a = 2.622555208849135, c = 3.5525106543000824, total energy = -5.633871191418018

Attempting to perform relaxation using initial lattice constant guess of a = [2.46142958] Angstroms and c = 3.617547904897055 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.633871
         Iterations: 75
         Function evaluations: 184
Results for this minimization:
  a = 2.740810516806007, c = 3.2678062730499824, total energy = -5.633871191418018

Attempting to perform relaxation using initial lattice constant guess of a = [2.46142958] Angstroms and c = 3.818522788502447 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.633871
         Iterations: 63
         Function evaluations: 167
Results for this minimization:
  a = 2.4763289962474695, c = 3.971097584784937, total energy = -5.6338711194906965

Attempting to perform relaxation using initial lattice constant guess of a = [2.46142958] Angstroms and c = 4.019497672107839 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.633871
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 2.461429579742253, c = 4.019497672107839, total energy = -5.633871191418018

Attempting to perform relaxation using initial lattice constant guess of a = [2.46142958] Angstroms and c = 4.220472555713231 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.633871
         Iterations: 73
         Function evaluations: 185
Results for this minimization:
  a = 2.3480852930576765, c = 4.436611570241668, total energy = -5.633871191418018

Attempting to perform relaxation using initial lattice constant guess of a = [2.46142958] Angstroms and c = 4.421447439318623 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.633871
         Iterations: 72
         Function evaluations: 187
Results for this minimization:
  a = 2.2811904900018742, c = 4.755988771826384, total energy = -5.633871191418018

Attempting to perform relaxation using initial lattice constant guess of a = [2.46142958] Angstroms and c = 4.622422322924015 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.633871
         Iterations: 74
         Function evaluations: 196
Results for this minimization:
  a = 2.3059777525533147, c = 4.627649921984288, total energy = -5.633871191418018

Attempting to perform relaxation using initial lattice constant guess of a = [2.46142958] Angstroms and c = 4.823397206529407 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 131
Results for this minimization:
  a = 2.461429579742253, c = 4.823397206529407, total energy = 0.0