Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_001
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

==============================================================================
==============================================================================
 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: -17.040705
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5525916941463977, total energy = -17.040705231481024

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: -17.040705
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.552591693453724, total energy = -17.040705231481024

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: -17.040705
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.55259171128273, total energy = -17.040705231481027

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: -17.040705
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5525917029008323, total energy = -17.040705231481034

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: -17.040705
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5525917112827328, total energy = -17.040705231481024

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: -17.040705
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5525917027145644, total energy = -17.040705231481038

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: -17.040705
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5525916937738664, total energy = -17.040705231481017

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: -17.040705
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.55259171128273, total energy = -17.040705231481027

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: -17.040705
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.552591692283751, total energy = -17.04070523148102

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: -17.040705
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.552591711096466, total energy = -17.04070523148102

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: -17.040705
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.552591693296563, total energy = -17.04070523148102

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: -17.040705
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.552591710840351, total energy = -17.040705231481024

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: -17.040705
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.55259171128273, total energy = -17.040705231481027

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: -17.040705
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.552591702900827, total energy = -17.040705231481027

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: -17.040705
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.552591711096465, total energy = -17.04070523148102

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: -17.040705
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.552591706160456, total energy = -17.040705231481027

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: -17.040705
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.552591694518923, total energy = -17.040705231481027

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: -17.040705
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.55259171128273, total energy = -17.040705231481024

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: -17.040705
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.552591719664633, total energy = -17.040705231481013

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: -17.040705
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.552591700525954, total energy = -17.040705231481024

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: -17.040705
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.552591706160455, total energy = -17.040705231481027

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: -17.040705
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5525917047867526, total energy = -17.040705231481027

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: -17.040705
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.55259171128273, total energy = -17.040705231481027

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: -17.040705
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5525917083024945, total energy = -17.040705231481024

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: -17.040705
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.552591693028806, total energy = -17.040705231481024

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: -17.040705
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.552591703669169, total energy = -17.040705231481024

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: -17.040705
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5525916944723552, total energy = -17.04070523148102

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: -17.040705
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.552591702900827, total energy = -17.040705231481034

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: -17.040705
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5525917103746862, total energy = -17.040705231481024

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: -17.040705
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5525916941463933, total energy = -17.040705231481024

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.5525917] Angstroms and c = 3.334691836433479 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.5629142966343457, c = 4.135204089802678, total energy = -17.042875234512827

Attempting to perform relaxation using initial lattice constant guess of a = [2.5525917] Angstroms and c = 3.5431100762105716 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.562914310922409, c = 4.135204033620026, total energy = -17.042875234512824

Attempting to perform relaxation using initial lattice constant guess of a = [2.5525917] Angstroms and c = 3.751528315987664 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 64
         Function evaluations: 142
Results for this minimization:
  a = 2.562914323898136, c = 4.135204002282832, total energy = -17.04287523451282

Attempting to perform relaxation using initial lattice constant guess of a = [2.5525917] Angstroms and c = 3.9599465557647564 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.562914322824355, c = 4.1352040139868835, total energy = -17.04287523451282

Attempting to perform relaxation using initial lattice constant guess of a = [2.5525917] Angstroms and c = 4.168364795541849 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.5629143114953434, c = 4.135204109661823, total energy = -17.04287523451282

Attempting to perform relaxation using initial lattice constant guess of a = [2.5525917] Angstroms and c = 4.376783035318941 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.5629143080097956, c = 4.135204042727783, total energy = -17.04287523451283

Attempting to perform relaxation using initial lattice constant guess of a = [2.5525917] Angstroms and c = 4.585201275096034 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.5629142984759103, c = 4.135204101251377, total energy = -17.04287523451283

Attempting to perform relaxation using initial lattice constant guess of a = [2.5525917] Angstroms and c = 4.793619514873126 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.5629142956758666, c = 4.135204081018372, total energy = -17.042875234512834

Attempting to perform relaxation using initial lattice constant guess of a = [2.5525917] Angstroms and c = 5.002037754650218 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.042875
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.562914304522383, c = 4.1352041102360975, total energy = -17.042875234512834

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

 Final lattice Constants:
   a = 2.5629142956758666 Angstroms, c = 4.135204081018372 Angstroms, c/a = 1.613477

 Total energy: -17.042875234512834 eV

 Cohesive energy: -4.260718808628209 eV/atom

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