Element = Lattice = Model = Element: Cr
Lattice: hcp
Model: Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
Computed model cutoff of 6.599973477609485 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: -7.154108
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5315960727632083, total energy = -7.154107988639878

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: -7.154108
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5315960750565862, total energy = -7.154107988639882

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: -7.154108
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.531596068351064, total energy = -7.1541079886398835

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: -7.154108
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.531596072763209, total energy = -7.154107988639877

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: -7.154108
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.5315960799111084, total energy = -7.154107988639879

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: -7.154108
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5315960755106084, total energy = -7.154107988639888

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: -7.154108
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5315960823558283, total energy = -7.154107988639882

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: -7.154108
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5315960831940174, total energy = -7.15410798863988

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: -7.154108
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.531596089899541, total energy = -7.154107988639886

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: -7.154108
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.5315960912965254, total energy = -7.154107988639877

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: -7.154108
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.531596075790004, total energy = -7.154107988639883

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: -7.154108
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.531596080283635, total energy = -7.154107988639888

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: -7.154108
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.531596095766872, total energy = -7.154107988639877

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: -7.154108
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.531596077221912, total energy = -7.154107988639883

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: -7.154108
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5315960891544815, total energy = -7.154107988639883

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: -7.154108
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5315960822394112, total energy = -7.154107988639882

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: -7.154108
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5315960750915103, total energy = -7.1541079886398835

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: -7.154108
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5315960706211627, total energy = -7.154107988639881

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: -7.154108
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5315960755106066, total energy = -7.154107988639886

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: -7.154108
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5315960766281926, total energy = -7.154107988639876

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: -7.154108
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.531596083659678, total energy = -7.154107988639883

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: -7.154108
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.531596083223119, total energy = -7.154107988639878

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: -7.154108
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5315960831940174, total energy = -7.15410798863988

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: -7.154108
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5315960936248265, total energy = -7.154107988639879

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: -7.154108
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5315960884094224, total energy = -7.154107988639881

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: -7.154108
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.531596074043774, total energy = -7.154107988639882

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: -7.154108
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.531596090109085, total energy = -7.154107988639876

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: -7.154108
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.531596075510606, total energy = -7.154107988639881

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: -7.154108
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.531596074113618, total energy = -7.154107988639878

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: -7.154108
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5315960770298247, total energy = -7.154107988639886

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: -7.154108
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5315960692241806, total energy = -7.154107988639882

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: -7.154108
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5315960807318305, total energy = -7.154107988639883

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: -7.154108
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.5315960771404207, total energy = -7.154107988639878

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: -7.154108
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5315960744657726, total energy = -7.154107988639884

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: -7.154108
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.531596077466382, total energy = -7.154107988639879

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: -7.154108
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5315960816340546, total energy = -7.154107988639881

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: -7.154108
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5315960850566586, total energy = -7.154107988639883

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: -7.154108
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.531596088781953, total energy = -7.154107988639876

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: -7.154108
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.531596082038589, total energy = -7.154107988639878

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: -7.154108
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5315960783729663, total energy = -7.154107988639883

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: -7.154108
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.531596076488487, total energy = -7.154107988639874

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: -7.154108
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.5315960758773106, total energy = -7.154107988639882

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: -7.154108
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5315960706211627, total energy = -7.154107988639881

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: -7.154108
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5315960806095954, total energy = -7.154107988639888

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: -7.154108
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.531596078537398, total energy = -7.154107988639877

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: -7.154108
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.531596077908752, total energy = -7.15410798863988

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.53159608] Angstroms and c = 3.307263263911138 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.154109
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.531466984580331, c = 4.134513893415644, total energy = -7.154108737590093

Attempting to perform relaxation using initial lattice constant guess of a = [2.53159608] Angstroms and c = 3.5139672179055843 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.154109
         Iterations: 73
         Function evaluations: 149
Results for this minimization:
  a = 2.5314669712742317, c = 4.134513880435927, total energy = -7.154108737590099

Attempting to perform relaxation using initial lattice constant guess of a = [2.53159608] Angstroms and c = 3.7206711719000305 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.154109
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.5314669690905984, c = 4.134513922739627, total energy = -7.154108737590098

Attempting to perform relaxation using initial lattice constant guess of a = [2.53159608] Angstroms and c = 3.9273751258944767 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.154109
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.5314669719236536, c = 4.13451391704489, total energy = -7.154108737590106

Attempting to perform relaxation using initial lattice constant guess of a = [2.53159608] Angstroms and c = 4.134079079888923 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.154109
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.5314669630998208, c = 4.134513890800134, total energy = -7.1541087375901

Attempting to perform relaxation using initial lattice constant guess of a = [2.53159608] Angstroms and c = 4.340783033883369 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.154109
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.5314669683452635, c = 4.134513916118548, total energy = -7.1541087375900965

Attempting to perform relaxation using initial lattice constant guess of a = [2.53159608] Angstroms and c = 4.547486987877815 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.154109
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.5314669707736046, c = 4.134513898921171, total energy = -7.154108737590099

Attempting to perform relaxation using initial lattice constant guess of a = [2.53159608] Angstroms and c = 4.754190941872261 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.154109
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.5314669621434507, c = 4.134513922943685, total energy = -7.154108737590105

Attempting to perform relaxation using initial lattice constant guess of a = [2.53159608] Angstroms and c = 4.960894895866708 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.154109
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.5314669549209032, c = 4.134513904469596, total energy = -7.154108737590099

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

 Final lattice Constants:
   a = 2.5314669719236536 Angstroms, c = 4.13451391704489 Angstroms, c/a = 1.633248

 Total energy: -7.154108737590106 eV

 Cohesive energy: -1.7885271843975266 eV/atom

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