Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
Computed model cutoff of 3.7360000076890048 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

==============================================================================
==============================================================================
 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: -32.182916
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.550592505931858, total energy = -32.18291618336791

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: -3209.648091
         Iterations: 36
         Function evaluations: 72
Results for this minimization:
  a = 1.1785110629978595, total energy = -3209.6480914001104

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: -32.182916
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5505924820899963, total energy = -32.18291618336782

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: -32.182916
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.55059250593186, total energy = -32.1829161833679

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: -32.182916
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.550592483207586, total energy = -32.18291618336783

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: -32.182916
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.550592519342901, total energy = -32.182916183367865

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: -32.182916
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.550592505931855, total energy = -32.182916183367894

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: -32.182916
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5505924925673753, total energy = -32.182916183367865

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: -32.182916
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5505924940109272, total energy = -32.18291618336788

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: -32.182916
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.5505924957746178, total energy = -32.18291618336788

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: -32.182916
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.550592495291494, total energy = -32.18291618336787

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: -32.182916
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5505924731492993, total energy = -32.182916183367766

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: -32.182916
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5505924951285124, total energy = -32.18291618336788

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: -32.182916
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5505924959899855, total energy = -32.18291618336785

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: -32.182916
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5505925059318546, total energy = -32.182916183367865

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: -32.182916
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.550592504965605, total energy = -32.182916183367894

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: -32.182916
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5505925066769115, total energy = -32.182916183367865

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: -32.182916
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5505925016477704, total energy = -32.18291618336787

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: -32.182916
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.550592509505804, total energy = -32.18291618336787

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: -32.182916
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5505925193370773, total energy = -32.18291618336785

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: -32.182916
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.550592495501041, total energy = -32.18291618336786

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: -32.182916
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.550592488981782, total energy = -32.18291618336784

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: -32.182916
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5505925128236413, total energy = -32.182916183367865

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


Attempting to perform relaxation using initial lattice constant guess of a = [1.17851106] Angstroms and c = 1.5396004056372037 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.848756
         Iterations: 80
         Function evaluations: 164
Results for this minimization:
  a = 3.9276224459436753, c = 2.3307971113791384, total energy = -24.848756248201354

Attempting to perform relaxation using initial lattice constant guess of a = [1.17851106] Angstroms and c = 1.6358254309895288 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -30091.217196
         Iterations: 189
         Function evaluations: 360
Results for this minimization:
  a = 1.3357639353447883, c = 1.6359700277037268, total energy = -30091.21719640805

Attempting to perform relaxation using initial lattice constant guess of a = [1.17851106] Angstroms and c = 1.732050456341854 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.848756
         Iterations: 85
         Function evaluations: 180
Results for this minimization:
  a = 3.9276224403950954, c = 2.3307971155847875, total energy = -24.84875624820135

Attempting to perform relaxation using initial lattice constant guess of a = [1.17851106] Angstroms and c = 1.828275481694179 = ([1.5513435] * a) Angstroms

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 2.545897705704747, c = 2.484397921561924, total energy = -13074.064957800865

Attempting to perform relaxation using initial lattice constant guess of a = [1.17851106] Angstroms and c = 1.9245005070465042 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21436.012848
         Iterations: 169
         Function evaluations: 338
Results for this minimization:
  a = 1.2062445281631815, c = 1.9142908815256034, total energy = -21436.01284758499

Attempting to perform relaxation using initial lattice constant guess of a = [1.17851106] Angstroms and c = 2.0207255323988296 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.944708
         Iterations: 94
         Function evaluations: 218
Results for this minimization:
  a = 2.5138678530263032, c = 9.92954601247639, total energy = -18.944708477194148

Attempting to perform relaxation using initial lattice constant guess of a = [1.17851106] Angstroms and c = 2.1169505577511547 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.848756
         Iterations: 77
         Function evaluations: 166
Results for this minimization:
  a = 3.9276224357977156, c = 2.3307971173262714, total energy = -24.848756248201326

Attempting to perform relaxation using initial lattice constant guess of a = [1.17851106] Angstroms and c = 2.21317558310348 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.848756
         Iterations: 83
         Function evaluations: 175
Results for this minimization:
  a = 3.927622462381835, c = 2.330797079873288, total energy = -24.84875624820133

Attempting to perform relaxation using initial lattice constant guess of a = [1.17851106] Angstroms and c = 2.309400608455805 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.848756
         Iterations: 89
         Function evaluations: 189
Results for this minimization:
  a = 3.9276224390365213, c = 2.3307971217874943, total energy = -24.848756248201333

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

 Final lattice Constants:
   a = 1.3357639353447883 Angstroms, c = 1.6359700277037268 Angstroms, c/a = 1.224745

 Total energy: -30091.21719640805 eV

 Cohesive energy: -7522.804299102013 eV/atom

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