Element = Lattice = Model = Element: U
Lattice: hcp
Model: MEAM_LAMMPS_MooreBeelerDeo_2015_UZr__MO_453094726678_000
Computed model cutoff of 5.500000007003557 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: -21.056165
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.027997604012495, total energy = -21.05616464123038

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: -21.056165
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.027997604012489, total energy = -21.05616464123038

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: -21.056165
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.0279976055026054, total energy = -21.056164641230385

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: -21.056165
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.0279976079822593, total energy = -21.056164641230378

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: -21.056165
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.027997612953189, total energy = -21.056164641230385

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: -21.056165
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.0279975909157675, total energy = -21.05616464123038

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: -21.056165
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.0279976040124885, total energy = -21.056164641230374

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: -21.056165
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.02799761260394, total energy = -21.056164641230378

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: -21.056165
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.027997588925067, total energy = -21.056164641230374

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: -21.056165
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0279976023361095, total energy = -21.056164641230378

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: -21.056165
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.027997598145158, total energy = -21.056164641230378

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: -21.056165
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.0279976056888684, total energy = -21.05616464123039

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: -21.056165
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.027997605269775, total energy = -21.05616464123038

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: -21.056165
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.0279976098798222, total energy = -21.05616464123038

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: -21.056165
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.0279975876212126, total energy = -21.05616464123037

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: -21.056165
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.0279976019635804, total energy = -21.056164641230385

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: -21.056165
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.027997612953186, total energy = -21.056164641230374

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: -21.056165
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.0279975943267345, total energy = -21.056164641230374

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: -21.056165
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.0279976068064567, total energy = -21.056164641230378

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: -21.056165
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.027997618680819, total energy = -21.05616464123037

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: -21.056165
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.027997609227895, total energy = -21.056164641230378

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: -21.056165
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.027997605502604, total energy = -21.056164641230378

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: -21.056165
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.027997612953186, total energy = -21.056164641230374

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: -21.056165
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0279976030811646, total energy = -21.056164641230378

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: -21.056165
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.02799761230126, total energy = -21.056164641230385

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: -21.056165
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0279976043966603, total energy = -21.056164641230378

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: -21.056165
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.027997599169609, total energy = -21.05616464123038

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: -21.056165
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0279976059682667, total energy = -21.05616464123038

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: -21.056165
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.0279976060031872, total energy = -21.056164641230385

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: -21.056165
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0279975985235046, total energy = -21.05616464123038

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: -21.056165
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.0279975950717937, total energy = -21.05616464123038

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: -21.056165
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.0279975922778224, total energy = -21.056164641230378

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: -21.056165
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.027997612953186, total energy = -21.05616464123037

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: -21.056165
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.0279975933954075, total energy = -21.056164641230374

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -21.056165
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.027997595944906, total energy = -21.05616464123038

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -21.056165
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.027997602627149, total energy = -21.056164641230378

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -21.056165
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 3.027997595688791, total energy = -21.05616464123038

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -21.056165
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.0279976073652506, total energy = -21.056164641230378

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.02799761] Angstroms and c = 3.955759507363683 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.056697
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 3.022378744741334, c = 4.9630239213312946, total energy = -21.056696527000785

Attempting to perform relaxation using initial lattice constant guess of a = [3.02799761] Angstroms and c = 4.202994476573913 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.056697
         Iterations: 70
         Function evaluations: 156
Results for this minimization:
  a = 3.022378756048175, c = 4.9630239104424465, total energy = -21.056696527000785

Attempting to perform relaxation using initial lattice constant guess of a = [3.02799761] Angstroms and c = 4.450229445784143 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.056697
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 3.0223787312224695, c = 4.963023930835638, total energy = -21.05669652700079

Attempting to perform relaxation using initial lattice constant guess of a = [3.02799761] Angstroms and c = 4.697464414994373 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.056697
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 3.02237875287488, c = 4.963023914125097, total energy = -21.056696527000785

Attempting to perform relaxation using initial lattice constant guess of a = [3.02799761] Angstroms and c = 4.944699384204603 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.056697
         Iterations: 67
         Function evaluations: 139
Results for this minimization:
  a = 3.0223787390721344, c = 4.9630239418192446, total energy = -21.05669652700079

Attempting to perform relaxation using initial lattice constant guess of a = [3.02799761] Angstroms and c = 5.191934353414833 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.056697
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.022378722506494, c = 4.9630239701206245, total energy = -21.05669652700078

Attempting to perform relaxation using initial lattice constant guess of a = [3.02799761] Angstroms and c = 5.439169322625063 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.056697
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 3.022378750829544, c = 4.9630239448371025, total energy = -21.056696527000785

Attempting to perform relaxation using initial lattice constant guess of a = [3.02799761] Angstroms and c = 5.686404291835293 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.056697
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 3.0223787352317966, c = 4.963023912193128, total energy = -21.05669652700079

Attempting to perform relaxation using initial lattice constant guess of a = [3.02799761] Angstroms and c = 5.933639261045523 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.056697
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.02237874159906, c = 4.963023935986017, total energy = -21.056696527000785

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

 Final lattice Constants:
   a = 3.0223787312224695 Angstroms, c = 4.963023930835638 Angstroms, c/a = 1.642092

 Total energy: -21.05669652700079 eV

 Cohesive energy: -5.264174131750197 eV/atom

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