Element = Lattice = Model = Element: C
Lattice: hcp
Model: Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species C

==============================================================================
==============================================================================
 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: -18.738998
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.1605113685131094, total energy = -18.738998224845865

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: -18.738998
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.1605113701894876, total energy = -18.73899822484587

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: -18.738998
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.1605113707482815, total energy = -18.73899822484587

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: -18.738998
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.160511371726174, total energy = -18.73899822484587

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: -18.738998
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.1605113685131094, total energy = -18.738998224845865

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: -18.738998
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.160511375963689, total energy = -18.73899822484586

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: -18.738998
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.160511372238397, total energy = -18.738998224845865

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: -18.738998
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.1605113721452653, total energy = -18.73899822484587

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: -18.738998
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.1605113685131077, total energy = -18.73899822484586

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: -18.738998
         Iterations: 31
         Function evaluations: 65
Results for this minimization:
  a = 2.1605113744735718, total energy = -18.738998224845872

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: -18.738998
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.1605113735422483, total energy = -18.73899822484587

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: -18.738998
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.1605113711673765, total energy = -18.73899822484587

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: -18.738998
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.1605113688856363, total energy = -18.738998224845865

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: -18.738998
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.160511371586471, total energy = -18.73899822484587

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: -18.738998
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.1605113797937516, total energy = -18.73899822484587

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: -18.738998
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.1605113650788534, total energy = -18.73899822484587

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: -18.738998
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.160511366277932, total energy = -18.738998224845865

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: -18.738998
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.1605113756959327, total energy = -18.738998224845865

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: -18.738998
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.160511361435054, total energy = -18.73899822484586

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: -18.738998
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.160511369246523, total energy = -18.738998224845865

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: -18.738998
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.160511367185971, total energy = -18.738998224845865

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: -18.738998
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.1605113681405754, total energy = -18.738998224845865

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: -18.738998
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.1605113819241524, total energy = -18.738998224845865

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: -18.738998
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.1605113761499473, total energy = -18.738998224845872

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: -18.738998
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.160511380434035, total energy = -18.738998224845865

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: -18.738998
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.160511374799537, total energy = -18.73899822484587

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: -18.738998
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.1605113744735682, total energy = -18.738998224845865

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: -18.738998
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.160511367022991, total energy = -18.738998224845865

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: -18.738998
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.1605113651603403, total energy = -18.738998224845865

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: -18.738998
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.160511367768047, total energy = -18.738998224845865

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 2.8224802405010134 = ([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 = 4.625 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 = [2.16051137] Angstroms and c = 2.998885255532327 = ([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 = 4.625 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 = [2.16051137] Angstroms and c = 3.1752902705636403 = ([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 = 4.625 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 = [2.16051137] Angstroms and c = 3.3516952855949538 = ([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 = 4.625 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 = [2.16051137] Angstroms and c = 3.5281003006262672 = ([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 = 4.625 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 = [2.16051137] Angstroms and c = 3.7045053156575807 = ([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 = 4.625 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 = [2.16051137] Angstroms and c = 3.880910330688894 = ([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 = 4.625 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 = [2.16051137] Angstroms and c = 4.057315345720207 = ([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 = 4.625 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 = [2.16051137] Angstroms and c = 4.233720360751521 = ([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 = 4.625 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 = [2.16051137] Angstroms, c = [3.5281003] Angstroms, c/a = 1.632993

 Total energy: -18.738998224845872 eV

 Cohesive energy: -4.684749556211468 eV/atom

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