Element = Lattice = Model = Element: U
Lattice: hcp
Model: MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_001
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species U

==============================================================================
==============================================================================
 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: -21.113541
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.172801950573926, total energy = -21.113540836736465

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: -21.113541
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.172801948548294, total energy = -21.113540836736465

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: -21.113541
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.172801934182644, total energy = -21.11354083673647

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: -21.113541
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1728019505739287, total energy = -21.113540836736465

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: -21.113541
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.1728019449859897, total energy = -21.113540836736473

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: -21.113541
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.172801933961456, total energy = -21.113540836736465

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: -21.113541
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1728019343456264, total energy = -21.113540836736465

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: -21.113541
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.172801946871914, total energy = -21.113540836736462

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: -21.113541
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.172801935672764, total energy = -21.113540836736465

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: -21.113541
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 3.172801945358516, total energy = -21.113540836736462

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: -21.113541
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.172801944985987, total energy = -21.113540836736465

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: -21.113541
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.172801944694946, total energy = -21.11354083673647

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: -21.113541
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.172801934706513, total energy = -21.11354083673647

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: -21.113541
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.17280194917694, total energy = -21.11354083673646

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: -21.113541
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.172801934182645, total energy = -21.113540836736465

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: -21.113541
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.1728019452537413, total energy = -21.113540836736465

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: -21.113541
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.172801946103573, total energy = -21.113540836736465

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: -21.113541
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.1728019478032365, total energy = -21.113540836736465

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: -21.113541
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.1728019519709045, total energy = -21.113540836736465

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: -21.113541
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.1728019466623656, total energy = -21.113540836736465

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: -21.113541
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.172801934182644, total energy = -21.113540836736462

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: -21.113541
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.1728019456379104, total energy = -21.113540836736462

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: -21.113541
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.172801958397031, total energy = -21.113540836736455

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: -21.113541
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.172801947500554, total energy = -21.113540836736465

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: -21.113541
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 3.172801934275775, total energy = -21.113540836736473

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: -21.113541
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.172801950573922, total energy = -21.11354083673646

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: -21.113541
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.1728019451606064, total energy = -21.113540836736465

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: -21.113541
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.172801934182644, total energy = -21.113540836736462

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: -21.113541
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1728019448812095, total energy = -21.113540836736465

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: -21.113541
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.172801947430707, total energy = -21.113540836736465

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: -21.113541
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1728019453585157, total energy = -21.113540836736473

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: -21.113541
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.172801933810112, total energy = -21.113540836736455

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: -21.113541
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.172801934182644, total energy = -21.11354083673647

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: -21.113541
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.172801935649473, total energy = -21.113540836736462

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 4.14493110406704 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 81
         Function evaluations: 169
Results for this minimization:
  a = 2.9903034119096583, c = 5.729585912469547, total energy = -21.16710264713493

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 4.40398929807123 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 80
         Function evaluations: 167
Results for this minimization:
  a = 2.990303408907334, c = 5.729585904831046, total energy = -21.16710264713493

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 4.66304749207542 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.990303371663514, c = 5.729585994655883, total energy = -21.167102647134925

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 4.92210568607961 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.9903033822770677, c = 5.729585902644857, total energy = -21.167102647134925

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 5.1811638800838 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.9903033844042897, c = 5.729585916772161, total energy = -21.167102647134925

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 5.44022207408799 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 2.990303372528812, c = 5.729585995287814, total energy = -21.16710264713492

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 5.69928026809218 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.990303445432528, c = 5.72958583716709, total energy = -21.167102647134914

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 5.95833846209637 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 2.9903034203200543, c = 5.729585931800527, total energy = -21.16710264713492

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 6.2173966561005605 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 77
         Function evaluations: 166
Results for this minimization:
  a = 2.990303447117819, c = 5.729585802633135, total energy = -21.16710264713493

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

 Final lattice Constants:
   a = 2.9903034119096583 Angstroms, c = 5.729585912469547 Angstroms, c/a = 1.916055

 Total energy: -21.16710264713493 eV

 Cohesive energy: -5.291775661783732 eV/atom

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