Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_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: 83
Results for this minimization:
  a = 2.5499419925734434, total energy = -17.148241065883553

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5499419793486595, total energy = -17.14824106588356

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: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.5499419788829982, total energy = -17.14824106588356

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: 77
Results for this minimization:
  a = 2.549941981211309, 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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.549941992759708, total energy = -17.14824106588355

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: 76
Results for this minimization:
  a = 2.5499419847037665, 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 = 2.549941984377802, total energy = -17.148241065883553

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: 75
Results for this minimization:
  a = 2.5499419793486595, total energy = -17.148241065883557

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: 72
Results for this minimization:
  a = 2.549941972084345, total energy = -17.148241065883553

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 = 2.5499419802799825, total energy = -17.148241065883557

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: 73
Results for this minimization:
  a = 2.5499419793486595, total energy = -17.148241065883557

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.549941982515156, total energy = -17.148241065883553

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: 67
Results for this minimization:
  a = 2.549941971898079, total energy = -17.148241065883553

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: 70
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: 70
Results for this minimization:
  a = 2.549941985309123, 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: 76
Results for this minimization:
  a = 2.549941993877291, 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: 77
Results for this minimization:
  a = 2.549941978068091, total energy = -17.148241065883557

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 = 2.5499419662402936, 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: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.549941983015741, total energy = -17.14824106588355

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5499419889412813, total energy = -17.14824106588355

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 = 2.549941971153019, total energy = -17.14824106588355

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5499419793486595, total energy = -17.14824106588355

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 = 2.5499419739528055, 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: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.549941968917846, total energy = -17.14824106588355

==============================================================================
==============================================================================
 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 = 3.331230252323614 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.567929398372499, c = 4.106432081449404, total energy = -17.154586482971542

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 3.53943214309384 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.5679293968751296, c = 4.106432081634836, total energy = -17.154586482971542

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 3.747634033864066 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 65
         Function evaluations: 137
Results for this minimization:
  a = 2.5679294144432365, c = 4.1064320407641866, total energy = -17.154586482971546

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 3.955835924634292 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 62
         Function evaluations: 134
Results for this minimization:
  a = 2.5679294097998, c = 4.1064320213409236, total energy = -17.154586482971546

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 4.164037815404518 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 60
         Function evaluations: 135
Results for this minimization:
  a = 2.567929411211021, c = 4.106432045974744, total energy = -17.154586482971542

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 4.372239706174744 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.567929410331435, c = 4.106432065808717, total energy = -17.154586482971546

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 4.580441596944969 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.567929413574798, c = 4.106432038957514, total energy = -17.154586482971546

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 4.788643487715195 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.5679293901998883, c = 4.10643209630546, total energy = -17.154586482971542

Attempting to perform relaxation using initial lattice constant guess of a = [2.54994198] Angstroms and c = 4.996845378485421 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.154586
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.5679294160221993, c = 4.106432050454901, total energy = -17.154586482971542

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

 Final lattice Constants:
   a = 2.5679294144432365 Angstroms, c = 4.1064320407641866 Angstroms, c/a = 1.599122

 Total energy: -17.154586482971546 eV

 Cohesive energy: -4.288646620742886 eV/atom

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