Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Fe__SM_267016608755_000
Computed model cutoff of 3.999999990463257 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: -17.148241
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5499419689178504, total energy = -17.14824106588355

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: -17.148241
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.549941982596647, total energy = -17.148241065883557

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: -17.148241
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.549941975623369, total energy = -17.148241065883553

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: -17.148241
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.54994197711349, total energy = -17.148241065883557

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: -17.148241
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.549941974319521, total energy = -17.148241065883553

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: -17.148241
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.549941980466249, total energy = -17.148241065883553

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: -17.148241
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.549941977858544, total energy = -17.14824106588355

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: -17.148241
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5499419793486595, total energy = -17.148241065883553

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: -17.148241
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5499419927597065, total energy = -17.14824106588355

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: -17.148241
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5499419897794726, total energy = -17.148241065883553

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: -17.148241
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5499419927597047, total energy = -17.14824106588355

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: -17.148241
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5499419785337523, total energy = -17.148241065883557

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: -17.148241
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5499419788829982, total energy = -17.148241065883557

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: -17.148241
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5499419804662473, total energy = -17.148241065883553

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: -17.148241
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.549941977113485, total energy = -17.148241065883553

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: -17.148241
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.549941968172788, total energy = -17.14824106588355

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: -17.148241
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5499419928994027, total energy = -17.14824106588355

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: -17.148241
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5499419680272695, total energy = -17.148241065883553

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: -17.148241
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.549941965937614, total energy = -17.14824106588355

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: -17.148241
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5499419839587043, total energy = -17.148241065883557

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: -17.148241
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5499419856816523, total energy = -17.148241065883553

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: -17.148241
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.54994197655469, total energy = -17.148241065883553

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: -17.148241
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5499419905245304, total energy = -17.148241065883553

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: -17.148241
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.549941977020349, total energy = -17.148241065883557

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: -17.148241
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5499419867992397, total energy = -17.148241065883553

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 3.3312302565667675 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.5679294029524873, c = 4.106432090927365, total energy = -17.15458648297154

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 3.5394321476021906 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.567929400420386, c = 4.10643208617659, total energy = -17.154586482971542

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 3.7476340386376137 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 66
         Function evaluations: 140
Results for this minimization:
  a = 2.5679293941361343, c = 4.106432083808817, total energy = -17.15458648297154

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 3.9558359296730368 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 62
         Function evaluations: 136
Results for this minimization:
  a = 2.567929412281399, c = 4.1064320492795074, total energy = -17.15458648297154

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 4.16403782070846 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 64
         Function evaluations: 143
Results for this minimization:
  a = 2.5679294043117853, c = 4.106432058892393, total energy = -17.154586482971542

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 4.372239711743883 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.567929394761924, c = 4.106432072035667, total energy = -17.15458648297154

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 4.580441602779306 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.5679294023281978, c = 4.106432052009152, total energy = -17.154586482971542

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 4.788643493814729 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.5679294040652634, c = 4.1064320735913755, total energy = -17.154586482971542

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 4.996845384850152 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.5679294070647063, c = 4.106432042492596, total energy = -17.154586482971542

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

 Final lattice Constants:
   a = 2.567929400420386 Angstroms, c = 4.10643208617659 Angstroms, c/a = 1.599122

 Total energy: -17.154586482971542 eV

 Cohesive energy: -4.2886466207428855 eV/atom

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