Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_AsadiZaeemNouranian_2015_Ni__MO_700541006254_002
Computed model cutoff of 3.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ni

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

Optimization terminated successfully.
         Current function value: -17.755114
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.490729659050706, total energy = -17.75511360835123

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.755114
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.4907296647317705, total energy = -17.75511360835123

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: -17.755114
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4907296746969223, total energy = -17.75511360835123

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: -17.755114
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4907296761870428, total energy = -17.75511360835123

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: -17.755114
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.4907296532765058, total energy = -17.755113608351227

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.490729664731772, total energy = -17.755113608351238

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: -17.755114
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4907296707853686, total energy = -17.75511360835123

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: -17.755114
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4907296775490977, total energy = -17.75511360835123

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: -17.755114
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.490729665756227, total energy = -17.755113608351227

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: -17.755114
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.490729664964602, total energy = -17.755113608351234

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: -17.755114
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4907296764664357, total energy = -17.755113608351234

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: -17.755114
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.4907296741846947, total energy = -17.755113608351234

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: -17.755114
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.490729663404636, total energy = -17.75511360835123

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: -17.755114
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4907296763267377, total energy = -17.755113608351234

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: -17.755114
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.4907296685036266, total energy = -17.75511360835123

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: -17.755114
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4907296704128377, total energy = -17.75511360835124

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4907296708784994, total energy = -17.755113608351238

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: -17.755114
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.490729650889989, total energy = -17.75511360835123

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: -17.755114
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.490729667758568, total energy = -17.75511360835123

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.490729665569961, total energy = -17.755113608351227

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: -17.755114
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4907296590507024, total energy = -17.755113608351227

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.490729661937801, total energy = -17.755113608351238

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: -17.755114
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4907296679448336, total energy = -17.755113608351227

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: -17.755114
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.490729674813334, total energy = -17.75511360835123

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: -17.755114
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.490729665663092, total energy = -17.75511360835123

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 3.2538756158517184 = ([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 = 4.0 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 = [2.49072967] Angstroms and c = 3.457242841842451 = ([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 = 4.0 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 = [2.49072967] Angstroms and c = 3.660610067833183 = ([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 = 4.0 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 = [2.49072967] Angstroms and c = 3.8639772938239156 = ([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 = 4.0 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 = [2.49072967] Angstroms and c = 4.0673445198146485 = ([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 = 4.0 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 = [2.49072967] Angstroms and c = 4.2707117458053805 = ([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 = 4.0 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 = [2.49072967] Angstroms and c = 4.4740789717961125 = ([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 = 4.0 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 = [2.49072967] Angstroms and c = 4.677446197786845 = ([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 = 4.0 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 = [2.49072967] Angstroms and c = 4.880813423777578 = ([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 = 4.0 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 = [2.49072967] Angstroms, c = [4.06734452] Angstroms, c/a = 1.632993

 Total energy: -17.75511360835124 eV

 Cohesive energy: -4.43877840208781 eV/atom

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