Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
Computed model cutoff of 7.825618533641103 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mg

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

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.1962856712983942, total energy = -6.200015181455337

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: -6.200015
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.19628573320806, total energy = -6.2000151814554

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: -6.200015
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1962857670150697, total energy = -6.200015181455408

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: -6.200015
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.1962858200073274, total energy = -6.200015181455355

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: -6.200015
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.196285736560823, total energy = -6.200015181455403

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: -6.200015
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.196285699959845, total energy = -6.200015181455388

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: -6.200015
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1962857738137234, total energy = -6.200015181455388

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: -6.200015
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.1962857507751323, total energy = -6.200015181455419

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: -6.200015
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.196285746898504, total energy = -6.200015181455387

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: -6.200015
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 3.1962857007980365, total energy = -6.200015181455388

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: -6.200015
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.1962857751117566, total energy = -6.200015181455398

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: -6.200015
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.1962857362814248, total energy = -6.2000151814554085

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: -6.200015
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.1962857347389217, total energy = -6.20001518145538

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: -6.200015
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.1962857400067133, total energy = -6.200015181455401

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: -6.200015
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.1962857007980343, total energy = -6.200015181455384

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: -6.200015
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.196285727014765, total energy = -6.200015181455412

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: -6.200015
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.196285777539014, total energy = -6.20001518145537

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: -6.200015
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.1962857670150697, total energy = -6.200015181455407

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: -6.200015
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.196285768787491, total energy = -6.200015181455382

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: -6.200015
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.196285820100455, total energy = -6.200015181455349

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: -6.200015
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.196285700798035, total energy = -6.200015181455386

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: -6.200015
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.1962857365608195, total energy = -6.200015181455394

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: -6.200015
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1962857268517837, total energy = -6.2000151814554

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: -6.200015
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1962856999598412, total energy = -6.200015181455398

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: -6.200015
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.196285772975534, total energy = -6.2000151814554

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: -6.200015
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.196285773813726, total energy = -6.20001518145539

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: -6.200015
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.1962857537786444, total energy = -6.200015181455386

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: -6.200015
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.1962857507751323, total energy = -6.2000151814554165

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: -6.200015
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.1962857469916304, total energy = -6.200015181455401

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: -6.200015
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.196285766456275, total energy = -6.200015181455389

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: -6.200015
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.19628573267837, total energy = -6.20001518145542

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: -6.200015
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 3.196285700798031, total energy = -6.200015181455389

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.1962857586331666, total energy = -6.200015181455398

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.1962857626611325, total energy = -6.2000151814553925

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.196285787585655, total energy = -6.200015181455379

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1962857365608146, total energy = -6.200015181455397

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1962857563514224, total energy = -6.2000151814553925

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.19628573502996, total energy = -6.200015181455386

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.196285738861477, total energy = -6.200015181455393

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.1962857493897836, total energy = -6.200015181455385

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.196285779401652, total energy = -6.200015181455392

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.1962857007980308, total energy = -6.200015181455383

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.19628574536182, total energy = -6.200015181455383

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.196285722451283, total energy = -6.200015181455382

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.196285761427128, total energy = -6.200015181455411

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.196285777539007, total energy = -6.20001518145537

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1962857333011887, total energy = -6.200015181455385

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.196285765618086, total energy = -6.200015181455395

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1962857501188453, total energy = -6.200015181455396

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1962857545324237, total energy = -6.200015181455396

Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.200015
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.1962857600999905, total energy = -6.200015181455385

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.19628573] Angstroms and c = 4.175610195839938 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.19628573] Angstroms and c = 4.436585833079934 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.19628573] Angstroms and c = 4.69756147031993 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.19628573] Angstroms and c = 4.958537107559926 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.19628573] Angstroms and c = 5.219512744799922 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.19628573] Angstroms and c = 5.480488382039918 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.19628573] Angstroms and c = 5.741464019279914 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.19628573] Angstroms and c = 6.00243965651991 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.19628573] Angstroms and c = 6.263415293759906 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [3.19628573] Angstroms, c = [5.21951274] Angstroms, c/a = 1.632993

 Total energy: -6.20001518145542 eV

 Cohesive energy: -1.550003795363855 eV/atom

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