Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000
Computed model cutoff of 5.199982037395256 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

==============================================================================
==============================================================================
 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 "kim_model.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 "kim_model.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 "kim_model.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 "kim_model.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 "kim_model.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 "kim_model.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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

Continuing...


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: -16.251578
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.565873993188144, total energy = -16.251578403866084

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: -16.251578
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.565873940335587, total energy = -16.251578403866098

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: -16.251578
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5658739773556585, total energy = -16.25157840386612

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: -16.251578
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.565873972381814, total energy = -16.251578403866095

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: -16.251578
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.565873953513801, total energy = -16.251578403866088

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: -16.251578
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.5658739676466213, total energy = -16.251578403866084

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: -16.251578
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.565873950347304, total energy = -16.251578403866112

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: -16.251578
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5658739447593684, total energy = -16.251578403866073

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: -16.251578
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5658739723265156, total energy = -16.25157840386609

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: -16.251578
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.565873967250809, total energy = -16.2515784038661

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: -16.251578
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5658739852719012, total energy = -16.251578403866077

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: -16.251578
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.565873977355658, total energy = -16.251578403866134

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 "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.625 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 = 3.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.75 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 = 3.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.875 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 = 3.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -16.251578
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5658739499747742, total energy = -16.251578403866116

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: 0.000000
         Iterations: 36
         Function evaluations: 104
Results for this minimization:
  a = 5.568749999999996, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 101
Results for this minimization:
  a = 5.312500000000002, total energy = 0.0

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: 0.000000
         Iterations: 36
         Function evaluations: 104
Results for this minimization:
  a = 5.46875, total energy = 0.0

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: 0.000000
         Iterations: 36
         Function evaluations: 104
Results for this minimization:
  a = 5.625000000000001, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 5.318750000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.225, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.362500000000001, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.25, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.3812500000000005, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.25, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.56587398] Angstroms and c = 3.352043727363713 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.344975
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.643590441787224, c = 4.017073520421324, total energy = -16.34497485947865

Attempting to perform relaxation using initial lattice constant guess of a = [2.56587398] Angstroms and c = 3.561546460323945 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.344975
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.6435904632616136, c = 4.017073471383533, total energy = -16.344974859478672

Attempting to perform relaxation using initial lattice constant guess of a = [2.56587398] Angstroms and c = 3.771049193284177 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.344975
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.643590460721273, c = 4.0170734460212945, total energy = -16.344974859478658

Attempting to perform relaxation using initial lattice constant guess of a = [2.56587398] Angstroms and c = 3.9805519262444093 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.344975
         Iterations: 64
         Function evaluations: 143
Results for this minimization:
  a = 2.64359046007049, c = 4.0170734534318, total energy = -16.344974859478654

Attempting to perform relaxation using initial lattice constant guess of a = [2.56587398] Angstroms and c = 4.190054659204641 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.344975
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 2.6435904534486685, c = 4.017073481821823, total energy = -16.344974859478647

Attempting to perform relaxation using initial lattice constant guess of a = [2.56587398] Angstroms and c = 4.399557392164874 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.344975
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.643590435671695, c = 4.017073494943846, total energy = -16.34497485947866

Attempting to perform relaxation using initial lattice constant guess of a = [2.56587398] Angstroms and c = 4.609060125125106 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.344975
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.6435904531412753, c = 4.017073496214543, total energy = -16.34497485947866

Attempting to perform relaxation using initial lattice constant guess of a = [2.56587398] Angstroms and c = 4.818562858085338 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.344975
         Iterations: 69
         Function evaluations: 158
Results for this minimization:
  a = 2.643590419500708, c = 4.017073587813784, total energy = -16.344974859478643

Attempting to perform relaxation using initial lattice constant guess of a = [2.56587398] Angstroms and c = 5.02806559104557 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.344975
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.64359044592692, c = 4.017073497928703, total energy = -16.344974859478665

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

 Final lattice Constants:
   a = 2.6435904632616136 Angstroms, c = 4.017073471383533 Angstroms, c/a = 1.519552

 Total energy: -16.344974859478672 eV

 Cohesive energy: -4.086243714869668 eV/atom

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