Element = Lattice = Model = Element: Be
Lattice: hcp
Model: EAM_Dynamo_AgrawalMishraWard_2013_Be__MO_404563086984_000
Computed model cutoff of 4.999999718591591 Angstroms
Computed isolated atomic energy of 17406.15711 eV for species Be

==============================================================================
==============================================================================
 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))

Optimization terminated successfully.
         Current function value: -69637.529829
         Iterations: 35
         Function evaluations: 82
Results for this minimization:
  a = 2.3266255378723155, total energy = -69637.52982873855

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: -69637.529829
         Iterations: 35
         Function evaluations: 82
Results for this minimization:
  a = 2.326625347137451, total energy = -69637.52982873855

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: -69637.529829
         Iterations: 34
         Function evaluations: 80
Results for this minimization:
  a = 2.326625347137451, total energy = -69637.52982873855

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: -69637.529829
         Iterations: 33
         Function evaluations: 78
Results for this minimization:
  a = 2.3266258239746103, total energy = -69637.52982873855

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: -69637.529829
         Iterations: 32
         Function evaluations: 76
Results for this minimization:
  a = 2.3266254901885994, total energy = -69637.52982873855

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: -69637.529829
         Iterations: 32
         Function evaluations: 77
Results for this minimization:
  a = 2.3266253471374516, total energy = -69637.52982873855

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: -69637.529829
         Iterations: 32
         Function evaluations: 76
Results for this minimization:
  a = 2.326625537872314, total energy = -69637.52982873855

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: -75120.985540
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.6281586149707437, total energy = -75120.98554031685

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: -75120.985540
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.628158615715801, total energy = -75120.98554031686

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: -75120.985540
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.6281586179509757, total energy = -75120.98554031685

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: -69637.529829
         Iterations: 35
         Function evaluations: 82
Results for this minimization:
  a = 2.3266257524490346, total energy = -69637.52982873855

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: -69637.529829
         Iterations: 35
         Function evaluations: 82
Results for this minimization:
  a = 2.3266256332397446, total energy = -69637.52982873855

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 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 = 3.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -75120.985540
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.6281586157623678, total energy = -75120.98554031685

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: -69637.529829
         Iterations: 36
         Function evaluations: 84
Results for this minimization:
  a = 2.326625561714171, total energy = -69637.52982873855

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: -69637.529829
         Iterations: 36
         Function evaluations: 84
Results for this minimization:
  a = 2.3266253471374503, total energy = -69637.52982873855

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: -69637.529829
         Iterations: 36
         Function evaluations: 84
Results for this minimization:
  a = 2.32662568092346, total energy = -69637.52982873855

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: -75120.985540
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.628158616484143, total energy = -75120.98554031686

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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.125 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 = 4.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.25 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 = 4.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.0 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 = 5.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.62815862] Angstroms and c = 3.4334120381883153 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69637.531212
         Iterations: 59
         Function evaluations: 145
Results for this minimization:
  a = 2.3328594792948563, c = 3.7796917916939865, total energy = -69637.53121150653

Attempting to perform relaxation using initial lattice constant guess of a = [2.62815862] Angstroms and c = 3.648000290575085 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69637.531212
         Iterations: 61
         Function evaluations: 147
Results for this minimization:
  a = 2.3328598974181283, c = 3.779689056586288, total energy = -69637.53121150652

Attempting to perform relaxation using initial lattice constant guess of a = [2.62815862] Angstroms and c = 3.8625885429618547 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69637.531212
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.3328593472270494, c = 3.7796917782050476, total energy = -69637.53121150653

Attempting to perform relaxation using initial lattice constant guess of a = [2.62815862] Angstroms and c = 4.077176795348624 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -75120.992045
         Iterations: 150
         Function evaluations: 308
Results for this minimization:
  a = 2.6125614906219035, c = 4.349100453546806, total energy = -75120.99204546254

Attempting to perform relaxation using initial lattice constant guess of a = [2.62815862] Angstroms and c = 4.291765047735394 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -75120.992045
         Iterations: 128
         Function evaluations: 275
Results for this minimization:
  a = 2.612561138796008, c = 4.34910191097775, total energy = -75120.99204546254

Attempting to perform relaxation using initial lattice constant guess of a = [2.62815862] Angstroms and c = 4.506353300122164 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69637.531212
         Iterations: 64
         Function evaluations: 153
Results for this minimization:
  a = 2.3328596119097824, c = 3.7796914256125023, total energy = -69637.53121150653

Attempting to perform relaxation using initial lattice constant guess of a = [2.62815862] Angstroms and c = 4.7209415525089335 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69637.531212
         Iterations: 65
         Function evaluations: 156
Results for this minimization:
  a = 2.33285943745622, c = 3.7796910475696492, total energy = -69637.53121150653

Attempting to perform relaxation using initial lattice constant guess of a = [2.62815862] Angstroms and c = 4.935529804895703 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69637.531212
         Iterations: 64
         Function evaluations: 153
Results for this minimization:
  a = 2.332859483662711, c = 3.779690665864293, total energy = -69637.53121150653

Attempting to perform relaxation using initial lattice constant guess of a = [2.62815862] Angstroms and c = 5.150118057282473 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69637.531212
         Iterations: 71
         Function evaluations: 169
Results for this minimization:
  a = 2.332859273442964, c = 3.779691992274237, total energy = -69637.53121150653

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

 Final lattice Constants:
   a = 2.6125614906219035 Angstroms, c = 4.349100453546806 Angstroms, c/a = 1.664688

 Total energy: -75120.99204546254 eV

 Cohesive energy: -18780.248011365635 eV/atom

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