Element = Lattice = Model = Element: Ag
Lattice: hcp
Model: Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
Computed model cutoff of 6.200000001229384 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ag

==============================================================================
==============================================================================
 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:
ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_full_bin_atomonly.cpp:87
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:
ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_full_bin_atomonly.cpp:87
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -11.381988
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8855739030987024, total energy = -11.381987680092204

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -11.381988
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.885573894041597, total energy = -11.381987680092207

Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -11.381988
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8855738922953638, total energy = -11.381987680092205

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: -11.381988
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8855738930404193, total energy = -11.381987680092202

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: -11.381988
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8855738878250126, total energy = -11.381987680092204

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: -11.381988
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8855739012360573, total energy = -11.3819876800922

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: -11.381988
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8855738885700726, total energy = -11.381987680092205

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: -11.381988
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.88557389015332, total energy = -11.381987680092204

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: -11.381988
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.885573887825012, total energy = -11.381987680092202

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: -11.381988
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.885573901477617, total energy = -11.381987680092205

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: -11.381988
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.885573893552646, total energy = -11.381987680092204

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: -11.381988
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.885573891736567, total energy = -11.381987680092204

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: -11.381988
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8855738958343866, total energy = -11.381987680092205

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: -11.381988
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.885573898561415, total energy = -11.381987680092204

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: -11.381988
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.8855738967657083, total energy = -11.381987680092205

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: -11.381988
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.885573891690001, total energy = -11.381987680092202

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: -11.381988
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.88557390756905, total energy = -11.381987680092202

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: -11.381988
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8855738978832957, total energy = -11.381987680092202

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: -11.381988
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8855738927144547, total energy = -11.381987680092205

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: -11.381988
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.885573903284965, total energy = -11.381987680092204

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: -11.381988
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8855738900601864, total energy = -11.381987680092204

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: -11.381988
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.885573889850637, total energy = -11.381987680092202

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: -11.381988
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.885573893785476, total energy = -11.381987680092202

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: -11.381988
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8855738947138896, total energy = -11.381987680092204

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: -11.381988
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8855738887679743, total energy = -11.381987680092202

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: -11.381988
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.885573902982287, total energy = -11.381987680092204

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: -11.381988
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.885573888663198, total energy = -11.381987680092205

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: -11.381988
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8855738957703565, total energy = -11.381987680092204

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: -11.381988
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8855738961137845, total energy = -11.381987680092207

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: -11.381988
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8855738942511353, total energy = -11.381987680092205

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: -11.381988
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8855738937854767, total energy = -11.381987680092202

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: -11.381988
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.885573906823988, total energy = -11.381987680092202

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: -11.381988
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8855738890473708, total energy = -11.381987680092204

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: -11.381988
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8855738886923072, total energy = -11.381987680092202

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: -11.381988
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8855738937854736, total energy = -11.381987680092202

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: -11.381988
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8855739013670245, total energy = -11.381987680092202

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: -11.381988
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.885573890060181, total energy = -11.381987680092202

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: -11.381988
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8855738908052424, total energy = -11.381987680092204

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: -11.381988
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8855738879647026, total energy = -11.381987680092204

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: -11.381988
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.885573901596941, total energy = -11.381987680092204

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: -11.381988
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.88557390216738, total energy = -11.381987680092204

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.88557389] Angstroms and c = 3.7696979495988296 = ([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 = 6.25 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 = [2.88557389] Angstroms and c = 4.005304071448757 = ([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 = 6.25 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 = [2.88557389] Angstroms and c = 4.240910193298684 = ([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 = 6.25 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 = [2.88557389] Angstroms and c = 4.476516315148611 = ([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 = 6.25 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 = [2.88557389] Angstroms and c = 4.712122436998539 = ([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 = 6.25 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 = [2.88557389] Angstroms and c = 4.947728558848466 = ([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 = 6.25 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 = [2.88557389] Angstroms and c = 5.183334680698393 = ([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 = 6.25 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 = [2.88557389] Angstroms and c = 5.41894080254832 = ([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 = 6.25 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 = [2.88557389] Angstroms and c = 5.654546924398248 = ([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 = 6.25 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 = [2.88557389] Angstroms, c = [4.71212244] Angstroms, c/a = 1.632993

 Total energy: -11.381987680092207 eV

 Cohesive energy: -2.8454969200230518 eV/atom

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