Element = Lattice = Model = Element: Zr
Lattice: hcp
Model: EAM_Dynamo_AcklandWoodingBacon_1995v2_Zr__MO_398441626455_000
Computed model cutoff of 5.575822398513565 Angstroms
Computed isolated atomic energy of 0.0 eV for species Zr

==============================================================================
==============================================================================
 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: -24.988613
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.22361459732056, total energy = -24.988612657529753

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: -24.988613
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.2236146344570464, total energy = -24.988612657529764

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: -24.988613
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.223614617390559, total energy = -24.988612657529774

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: -24.988613
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.223614614875986, total energy = -24.98861265752976

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: -24.988613
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.223614662885666, total energy = -24.98861265752973

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: -24.988613
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.2236146157141787, total energy = -24.98861265752978

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: -24.988613
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.223614631593229, total energy = -24.988612657529753

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: -24.988613
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.2236146366223686, total energy = -24.988612657529778

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: -24.988613
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.2236146390438085, total energy = -24.988612657529767

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: -24.988613
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.223614636808634, total energy = -24.988612657529757

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: -24.988613
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.2236146092414852, total energy = -24.988612657529778

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: -24.988613
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.223614617390558, total energy = -24.988612657529792

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: -24.988613
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.2236146349459887, total energy = -24.988612657529792

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: -24.988613
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.2236146352835915, total energy = -24.98861265752976

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: -24.988613
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.223614625632763, total energy = -24.98861265752975

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: -24.988613
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2236146733164763, total energy = -24.988612657529714

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: -24.988613
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2236145973205557, total energy = -24.988612657529753

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: -24.988613
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.2236146364593887, total energy = -24.98861265752976

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: -24.988613
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2236146332696065, total energy = -24.988612657529764

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: -24.988613
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2236145958304405, total energy = -24.988612657529735

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: -24.988613
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.2236146106850327, total energy = -24.98861265752976

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: -24.988613
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2236146298935626, total energy = -24.98861265752977

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: -24.988613
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.2236146175302585, total energy = -24.988612657529742

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: -24.988613
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.2236146407201858, total energy = -24.98861265752976

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: -24.988613
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.223614612594247, total energy = -24.988612657529746

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: -24.988613
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.223614625007027, total energy = -24.988612657529767

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: -24.988613
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2236146323382835, total energy = -24.988612657529774

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.988613
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.223614606540652, total energy = -24.988612657529732

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.988613
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.223614635691044, total energy = -24.988612657529757

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 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 = 5.625 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 = [3.22361462] Angstroms and c = 4.211312501324849 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.999744
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 3.2488640150819137, c = 5.18248346340849, total energy = -24.99974401760663

Attempting to perform relaxation using initial lattice constant guess of a = [3.22361462] Angstroms and c = 4.474519532657652 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.999744
         Iterations: 73
         Function evaluations: 160
Results for this minimization:
  a = 3.2488640661388137, c = 5.182483295174657, total energy = -24.999744017606627

Attempting to perform relaxation using initial lattice constant guess of a = [3.22361462] Angstroms and c = 4.7377265639904556 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.999744
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 3.2488639987585453, c = 5.182483448180568, total energy = -24.999744017606638

Attempting to perform relaxation using initial lattice constant guess of a = [3.22361462] Angstroms and c = 5.000933595323259 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.999744
         Iterations: 62
         Function evaluations: 136
Results for this minimization:
  a = 3.248864006108384, c = 5.182483470934016, total energy = -24.99974401760662

Attempting to perform relaxation using initial lattice constant guess of a = [3.22361462] Angstroms and c = 5.264140626656062 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.999744
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.2488640258599006, c = 5.182483366930106, total energy = -24.99974401760662

Attempting to perform relaxation using initial lattice constant guess of a = [3.22361462] Angstroms and c = 5.527347657988866 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.999744
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 3.2488640587451867, c = 5.1824833837933975, total energy = -24.999744017606627

Attempting to perform relaxation using initial lattice constant guess of a = [3.22361462] Angstroms and c = 5.790554689321669 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.999744
         Iterations: 75
         Function evaluations: 166
Results for this minimization:
  a = 3.2488640592380476, c = 5.182483344772195, total energy = -24.999744017606638

Attempting to perform relaxation using initial lattice constant guess of a = [3.22361462] Angstroms and c = 6.053761720654473 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.999744
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 3.248864031137135, c = 5.182483351216764, total energy = -24.99974401760662

Attempting to perform relaxation using initial lattice constant guess of a = [3.22361462] Angstroms and c = 6.316968751987276 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.999744
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 3.248864060753048, c = 5.182483371840045, total energy = -24.99974401760662

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

 Final lattice Constants:
   a = 3.2488639987585453 Angstroms, c = 5.182483448180568 Angstroms, c/a = 1.595168

 Total energy: -24.999744017606638 eV

 Cohesive energy: -6.249936004401659 eV/atom

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