Element = Lattice = Model = Element: H
Lattice: hcp
Model: Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_000
Computed model cutoff of 2.114500161670188 Angstroms
Computed isolated atomic energy of 0.0 eV for species H

==============================================================================
==============================================================================
 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: -2.173403
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 1.72853277847171, total energy = -2.173403468413981

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: -2.173403
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 1.7285327789490113, total energy = -2.1734034684139827

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: -2.173403
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 1.7285327762365341, total energy = -2.173403468413982

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: -2.173403
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 1.7285327895195237, total energy = -2.1734034684139756

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: -2.173403
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.7285327821969991, total energy = -2.1734034684139836

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: -2.173403
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 1.728532775631174, total energy = -2.1734034684139836

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: -2.173403
         Iterations: 31
         Function evaluations: 67
Results for this minimization:
  a = 1.7285327770630832, total energy = -2.173403468413982

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: -2.173403
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 1.7285327792633325, total energy = -2.173403468413981

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: -2.173403
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.728532779961824, total energy = -2.1734034684139836

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: -2.173403
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.7285327764111567, total energy = -2.173403468413979

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.5, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.625, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [1.72853278] Angstroms and c = 2.2581457706965433 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.984196
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.109632138983349, c = 2.0938140997653094, total energy = -2.9841962408633984

Attempting to perform relaxation using initial lattice constant guess of a = [1.72853278] Angstroms and c = 2.3992798813650773 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.984196
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.109632112271157, c = 2.0938140921385706, total energy = -2.9841962408633806

Attempting to perform relaxation using initial lattice constant guess of a = [1.72853278] Angstroms and c = 2.5404139920336113 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.895017
         Iterations: 100
         Function evaluations: 229
Results for this minimization:
  a = 1.5675321701398064, c = 4.379609435410386, total energy = -3.895016964694376

Attempting to perform relaxation using initial lattice constant guess of a = [1.72853278] Angstroms and c = 2.6815481027021453 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.895017
         Iterations: 103
         Function evaluations: 222
Results for this minimization:
  a = 1.5675321705355132, c = 4.332235272323724, total energy = -3.8950169646943777

Attempting to perform relaxation using initial lattice constant guess of a = [1.72853278] Angstroms and c = 2.8226822133706793 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.895017
         Iterations: 94
         Function evaluations: 209
Results for this minimization:
  a = 1.5675321816087215, c = 4.271881724138616, total energy = -3.8950169646943715

Attempting to perform relaxation using initial lattice constant guess of a = [1.72853278] Angstroms and c = 2.9638163240392132 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.895017
         Iterations: 89
         Function evaluations: 208
Results for this minimization:
  a = 1.567532170780481, c = 4.083401968280741, total energy = -3.895016964694374

Attempting to perform relaxation using initial lattice constant guess of a = [1.72853278] Angstroms and c = 3.1049504347077472 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.895017
         Iterations: 84
         Function evaluations: 195
Results for this minimization:
  a = 1.5675321646160234, c = 4.1136901544890385, total energy = -3.895016964694377

Attempting to perform relaxation using initial lattice constant guess of a = [1.72853278] Angstroms and c = 3.246084545376281 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.895017
         Iterations: 86
         Function evaluations: 195
Results for this minimization:
  a = 1.5675321701737432, c = 4.097892925443698, total energy = -3.895016964694374

Attempting to perform relaxation using initial lattice constant guess of a = [1.72853278] Angstroms and c = 3.387218656044815 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.895017
         Iterations: 94
         Function evaluations: 206
Results for this minimization:
  a = 1.5675321682110699, c = 3.988533689070003, total energy = -3.8950169646943733