Element = Lattice = Model = Element: Cr
Lattice: hcp
Model: MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_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: -16.236235
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.585374835133556, total energy = -16.23623472210286

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: -16.236235
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5853748422116047, total energy = -16.23623472210286

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: -16.236235
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5853748470544815, total energy = -16.23623472210286

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: -16.236235
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.585374845564371, total energy = -16.23623472210286

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: -16.236235
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5853748455643677, total energy = -16.23623472210286

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: -16.236235
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5853748523164555, total energy = -16.236234722102868

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: -16.236235
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.585374823212624, total energy = -16.23623472210285

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: -16.236235
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5853748517110944, total energy = -16.236234722102857

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: -16.236235
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.585374835133554, total energy = -16.236234722102857

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: -16.236235
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5853748355293655, total energy = -16.236234722102864

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: -16.236235
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.585374845459592, total energy = -16.236234722102864

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: -16.236235
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.585374846681952, total energy = -16.236234722102864

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: -16.236235
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5853748470544815, total energy = -16.23623472210286

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: -16.236235
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5853748388588427, total energy = -16.236234722102857

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: -16.236235
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5853748450521383, total energy = -16.23623472210286

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: -16.236235
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.585374837368726, total energy = -16.236234722102857

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: -16.236235
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5853748500347127, total energy = -16.236234722102857

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: -16.236235
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.585374847985804, total energy = -16.236234722102864

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: -16.236235
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.585374834761023, total energy = -16.23623472210286

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: -16.236235
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.585374837182462, total energy = -16.236234722102864

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: -16.236235
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5853748232126224, total energy = -16.23623472210285

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: -16.236235
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5853748528286795, total energy = -16.236234722102864

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: -16.236235
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5853748517110944, total energy = -16.23623472210286

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: -16.236235
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5853748339693965, total energy = -16.23623472210286

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: -16.236235
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.5853748425841316, total energy = -16.236234722102857

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.58537485] Angstroms and c = 3.377519563732657 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.244431
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.612051043353782, c = 4.136786131913817, total energy = -16.244430947150025

Attempting to perform relaxation using initial lattice constant guess of a = [2.58537485] Angstroms and c = 3.588614536465948 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.244431
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 2.6120510346397166, c = 4.13678613876864, total energy = -16.244430947150022

Attempting to perform relaxation using initial lattice constant guess of a = [2.58537485] Angstroms and c = 3.7997095091992388 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.244431
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.6120510185510546, c = 4.136786173399754, total energy = -16.24443094715001

Attempting to perform relaxation using initial lattice constant guess of a = [2.58537485] Angstroms and c = 4.01080448193253 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.244431
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.612051044027337, c = 4.136786145895453, total energy = -16.244430947150022

Attempting to perform relaxation using initial lattice constant guess of a = [2.58537485] Angstroms and c = 4.22189945466582 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.244431
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 2.6120510566134394, c = 4.136786068712665, total energy = -16.244430947150015

Attempting to perform relaxation using initial lattice constant guess of a = [2.58537485] Angstroms and c = 4.4329944273991115 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.244431
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.612051055789161, c = 4.136786126221423, total energy = -16.24443094715002

Attempting to perform relaxation using initial lattice constant guess of a = [2.58537485] Angstroms and c = 4.644089400132403 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.244431
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.61205106219509, c = 4.136786092952443, total energy = -16.24443094715002

Attempting to perform relaxation using initial lattice constant guess of a = [2.58537485] Angstroms and c = 4.855184372865693 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.244431
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.612051070134854, c = 4.136786107092471, total energy = -16.24443094715001

Attempting to perform relaxation using initial lattice constant guess of a = [2.58537485] Angstroms and c = 5.066279345598984 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.244431
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.6120510482071815, c = 4.136786091654881, total energy = -16.244430947150015

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

 Final lattice Constants:
   a = 2.612051043353782 Angstroms, c = 4.136786131913817 Angstroms, c/a = 1.583731

 Total energy: -16.244430947150025 eV

 Cohesive energy: -4.061107736787506 eV/atom

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