Element = Lattice = Model = Element: Cr
Lattice: hcp
Model: MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_000
Computed model cutoff of 3.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cr

==============================================================================
==============================================================================
 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: -16.160095
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.579513609409336, total energy = -16.160094944948924

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: -16.160095
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5795136157888923, total energy = -16.16009494494893

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: -16.160095
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.579513620585203, total energy = -16.16009494494893

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: -16.160095
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.579513608571147, total energy = -16.160094944948924

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: -16.160095
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.579513616487387, total energy = -16.160094944948924

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: -16.160095
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5795136116445083, total energy = -16.160094944948927

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: -16.160095
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.579513613879681, total energy = -16.160094944948924

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: -16.160095
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5795136188098695, total energy = -16.160094944948927

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: -16.160095
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.579513609409334, total energy = -16.160094944948927

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: -16.160095
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.579513611644507, total energy = -16.160094944948927

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: -16.160095
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.579513618722559, total energy = -16.160094944948924

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: -16.160095
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5795136183500293, total energy = -16.160094944948924

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: -16.160095
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5795136094093323, total energy = -16.16009494494892

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: -16.160095
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.5795136165485015, total energy = -16.160094944948924

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: -16.160095
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.579513611644506, total energy = -16.160094944948927

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: -16.160095
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5795135937631124, total energy = -16.16009494494891

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: -16.160095
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5795136164873833, total energy = -16.16009494494892

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: -16.160095
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.579513620585203, total energy = -16.16009494494892

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: -16.160095
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5795136116445057, total energy = -16.160094944948924

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: -16.160095
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.579513621237127, total energy = -16.160094944948924

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: -16.160095
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.579513613879679, total energy = -16.160094944948924

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: -16.160095
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5795136104337852, total energy = -16.160094944948924

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: -16.160095
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5795136215165257, total energy = -16.160094944948927

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: -16.160095
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.579513616813343, total energy = -16.160094944948924

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: -16.160095
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5795136094093314, total energy = -16.16009494494892

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 3.3698624763970346 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.5948894179450246, c = 4.163372542775307, total energy = -16.164441496342217

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 3.580478881171849 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.5948894318854574, c = 4.163372551127207, total energy = -16.16444149634222

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 3.7910952859466636 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.594889419111607, c = 4.163372478172747, total energy = -16.164441496342224

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 4.0017116907214785 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 2.594889419979155, c = 4.163372540967401, total energy = -16.164441496342224

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 4.212328095496293 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 70
         Function evaluations: 145
Results for this minimization:
  a = 2.594889414667386, c = 4.163372507429595, total energy = -16.16444149634222

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 4.422944500271107 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.594889422733804, c = 4.163372516809883, total energy = -16.16444149634222

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 4.633560905045922 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.594889399295879, c = 4.16337253420145, total energy = -16.164441496342217

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 4.844177309820736 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.5948893917281, c = 4.163372530806026, total energy = -16.164441496342217

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 5.054793714595551 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.594889422106176, c = 4.163372514613105, total energy = -16.164441496342224

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

 Final lattice Constants:
   a = 2.594889419111607 Angstroms, c = 4.163372478172747 Angstroms, c/a = 1.604451

 Total energy: -16.164441496342224 eV

 Cohesive energy: -4.041110374085556 eV/atom

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