Element = Lattice = Model = Element: Pb
Lattice: hcp
Model: MEAM_LAMMPS_KimLee_2017_MgPb__MO_325675357262_000
Computed model cutoff of 5.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pb

==============================================================================
==============================================================================
 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: -8.148076
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.500552207604056, total energy = -8.148075963230502

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: -8.148076
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 3.500552202388644, total energy = -8.148075963230504

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: -8.148076
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.5005522072315216, total energy = -8.148075963230498

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: -8.148076
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5005522076040596, total energy = -8.148075963230502

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: -8.148076
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.5005522102117586, total energy = -8.1480759632305

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: -8.148076
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5005521893501306, total energy = -8.148075963230498

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: -8.148076
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5005522072315207, total energy = -8.148075963230498

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: -8.148076
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.5005522007122636, total energy = -8.1480759632305

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: -8.148076
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.500552210211757, total energy = -8.1480759632305

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: -8.148076
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.500552205741407, total energy = -8.148075963230497

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: -8.148076
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5005522032268357, total energy = -8.1480759632305

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: -8.148076
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.50055219903588, total energy = -8.1480759632305

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: -8.148076
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5005522025749087, total energy = -8.1480759632305

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: -8.148076
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.5005521889776006, total energy = -8.148075963230498

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: -8.148076
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.5005521789193184, total energy = -8.148075963230497

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: -8.148076
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.5005521979182967, total energy = -8.148075963230498

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: -8.148076
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.5005522012710584, total energy = -8.148075963230498

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: -8.148076
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.50055220304057, total energy = -8.1480759632305

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: -8.148076
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.500552189350129, total energy = -8.148075963230498

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: -8.148076
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.5005522013409065, total energy = -8.1480759632305

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: -8.148076
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.50055220715003, total energy = -8.1480759632305

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: -8.148076
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.5005521889775992, total energy = -8.148075963230497

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: -8.148076
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.5005521813291125, total energy = -8.148075963230498

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: -8.148076
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.5005521979182945, total energy = -8.1480759632305

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: -8.148076
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.500552201271056, total energy = -8.148075963230498

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: -8.148076
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.5005522050429136, total energy = -8.1480759632305

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: -8.148076
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.5005521804094304, total energy = -8.148075963230497

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: -8.148076
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.5005522072315216, total energy = -8.1480759632305

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: -8.148076
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.500552188558502, total energy = -8.1480759632305

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: -8.148076
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.500552178919314, total energy = -8.148075963230495

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: -8.148076
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5005521937273447, total energy = -8.1480759632305

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: -8.148076
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.500552199035881, total energy = -8.148075963230498

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: -8.148076
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.5005522072315216, total energy = -8.1480759632305

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: -8.148076
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.500552213983606, total energy = -8.148075963230495

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: -8.148076
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.500552207557484, total energy = -8.1480759632305

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: -8.148076
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5005522052757456, total energy = -8.1480759632305

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: -8.148076
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.500552207604048, total energy = -8.148075963230498

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: -8.148076
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.5005522007122636, total energy = -8.1480759632305

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.148076
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5005521956423724, total energy = -8.148075963230502

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.148076
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5005521931685486, total energy = -8.148075963230498

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.148076
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5005521923303546, total energy = -8.148075963230498

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.5005522] Angstroms and c = 4.573102247374959 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.148182
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 3.496762784518652, c = 5.728806464052292, total energy = -8.148182432527305

Attempting to perform relaxation using initial lattice constant guess of a = [3.5005522] Angstroms and c = 4.858921137835894 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.148182
         Iterations: 80
         Function evaluations: 162
Results for this minimization:
  a = 3.496762786212104, c = 5.7288064449026646, total energy = -8.148182432527307

Attempting to perform relaxation using initial lattice constant guess of a = [3.5005522] Angstroms and c = 5.144740028296829 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.148182
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 3.496762799642866, c = 5.728806446416754, total energy = -8.148182432527305

Attempting to perform relaxation using initial lattice constant guess of a = [3.5005522] Angstroms and c = 5.4305589187577645 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.148182
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 3.4967627878302805, c = 5.728806439314276, total energy = -8.148182432527307

Attempting to perform relaxation using initial lattice constant guess of a = [3.5005522] Angstroms and c = 5.7163778092187 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.148182
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 3.4967627844268154, c = 5.72880644038098, total energy = -8.148182432527305

Attempting to perform relaxation using initial lattice constant guess of a = [3.5005522] Angstroms and c = 6.002196699679635 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.148182
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 3.496762781056561, c = 5.728806450611934, total energy = -8.148182432527305

Attempting to perform relaxation using initial lattice constant guess of a = [3.5005522] Angstroms and c = 6.28801559014057 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.148182
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 3.496762813387012, c = 5.728806401705528, total energy = -8.148182432527301

Attempting to perform relaxation using initial lattice constant guess of a = [3.5005522] Angstroms and c = 6.573834480601505 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.148182
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.4967627976809728, c = 5.728806429878102, total energy = -8.148182432527305

Attempting to perform relaxation using initial lattice constant guess of a = [3.5005522] Angstroms and c = 6.85965337106244 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.148182
         Iterations: 75
         Function evaluations: 163
Results for this minimization:
  a = 3.496762804555349, c = 5.728806373105533, total energy = -8.148182432527303

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

 Final lattice Constants:
   a = 3.496762786212104 Angstroms, c = 5.7288064449026646 Angstroms, c/a = 1.638317

 Total energy: -8.148182432527307 eV

 Cohesive energy: -2.0370456081318267 eV/atom

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