Element = Lattice = Model = Element: Sn
Lattice: hcp
Model: MEAM_LAMMPS_EtesamiBaskesLaradji_2018_PbSn__MO_162736908871_001
Computed model cutoff of 5.500000007003557 Angstroms
Computed isolated atomic energy of 0.0 eV for species Sn

==============================================================================
==============================================================================
 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: -12.325464
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.436067496985202, total energy = -12.325464038146343

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: -12.325464
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.436067495704628, total energy = -12.325464038146341

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: -12.325464
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.4360674768686295, total energy = -12.325464038146334

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: -12.325464
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.4360675028874628, total energy = -12.325464038146345

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: -12.325464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4360675077885436, total energy = -12.325464038146338

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: -12.325464
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4360675068572193, total energy = -12.325464038146333

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: -12.325464
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.436067489348352, total energy = -12.325464038146334

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: -12.325464
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.4360675010830164, total energy = -12.325464038146336

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: -12.325464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4360674954950845, total energy = -12.32546403814633

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: -12.325464
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.436067512631418, total energy = -12.32546403814633

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: -12.325464
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.4360675084870316, total energy = -12.325464038146336

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: -12.325464
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.4360674969851948, total energy = -12.325464038146341

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: -12.325464
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.436067508533597, total energy = -12.32546403814633

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: -12.325464
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.4360675089061283, total energy = -12.325464038146336

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: -12.325464
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.4360675027594, total energy = -12.32546403814634

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: -12.325464
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.4360675092320894, total energy = -12.325464038146338

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: -12.325464
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.436067506670953, total energy = -12.325464038146338

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: -12.325464
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.436067474540323, total energy = -12.325464038146329

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: -12.325464
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.4360675068572166, total energy = -12.325464038146336

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: -12.325464
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.4360675033007277, total energy = -12.325464038146333

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: -12.325464
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.436067482992075, total energy = -12.32546403814633

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: -12.325464
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.4360674998490146, total energy = -12.325464038146338

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: -12.325464
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.43606748431921, total energy = -12.325464038146334

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: -12.325464
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.436067514866589, total energy = -12.325464038146334

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: -12.325464
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.43606749838218, total energy = -12.32546403814634

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: -12.325464
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.4360674847033814, total energy = -12.325464038146334

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: -12.325464
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.4360674967989318, total energy = -12.32546403814634

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: -12.325464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4360674978233874, total energy = -12.325464038146338

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: -12.325464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4360674957046258, total energy = -12.325464038146336

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: -12.325464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4360674937081046, total energy = -12.325464038146334

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: -12.325464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4360674969851983, total energy = -12.32546403814634

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: -12.325464
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.436067502562944, total energy = -12.325464038146333

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: -12.325464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.4360675010830164, total energy = -12.32546403814633

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: -12.325464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4360675052739644, total energy = -12.325464038146338

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: -12.325464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.4360674991272377, total energy = -12.325464038146336

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: -12.325464
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.4360674971132545, total energy = -12.325464038146338

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: -12.325464
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.436067500710485, total energy = -12.325464038146334

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: -12.325464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.4360674968047533, total energy = -12.325464038146345

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.4360675] Angstroms and c = 4.4888597887111725 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.325497
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 3.4378098237763837, c = 5.605378988275678, total energy = -12.32549724769347

Attempting to perform relaxation using initial lattice constant guess of a = [3.4360675] Angstroms and c = 4.7694135255056205 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.325497
         Iterations: 77
         Function evaluations: 166
Results for this minimization:
  a = 3.4378098022669623, c = 5.605379095611515, total energy = -12.325497247693468

Attempting to perform relaxation using initial lattice constant guess of a = [3.4360675] Angstroms and c = 5.049967262300068 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.325497
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.4378098097646603, c = 5.605379039098821, total energy = -12.325497247693473

Attempting to perform relaxation using initial lattice constant guess of a = [3.4360675] Angstroms and c = 5.330520999094516 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.325497
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 3.437809801458646, c = 5.605379061710337, total energy = -12.325497247693471

Attempting to perform relaxation using initial lattice constant guess of a = [3.4360675] Angstroms and c = 5.611074735888964 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.325497
         Iterations: 70
         Function evaluations: 144
Results for this minimization:
  a = 3.437809792709916, c = 5.605379063733711, total energy = -12.325497247693468

Attempting to perform relaxation using initial lattice constant guess of a = [3.4360675] Angstroms and c = 5.891628472683412 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.325497
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.437809807611072, c = 5.605379027338587, total energy = -12.325497247693471

Attempting to perform relaxation using initial lattice constant guess of a = [3.4360675] Angstroms and c = 6.17218220947786 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.325497
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 3.4378097997788695, c = 5.605379009714575, total energy = -12.325497247693473

Attempting to perform relaxation using initial lattice constant guess of a = [3.4360675] Angstroms and c = 6.452735946272308 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.325497
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 3.437809804921736, c = 5.605379022276526, total energy = -12.325497247693471

Attempting to perform relaxation using initial lattice constant guess of a = [3.4360675] Angstroms and c = 6.733289683066756 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.325497
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 3.437809802990639, c = 5.605379035781896, total energy = -12.325497247693464

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

 Final lattice Constants:
   a = 3.4378098097646603 Angstroms, c = 5.605379039098821 Angstroms, c/a = 1.630509

 Total energy: -12.325497247693473 eV

 Cohesive energy: -3.0813743119233683 eV/atom

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