Element = Lattice = Model = Element: Sn
Lattice: hcp
Model: MEAM_LAMMPS_EtesamiBaskesLaradji_2018_PbSn__MO_162736908871_000
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: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.436067489348352, total energy = -12.32546403814633

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: 80
Results for this minimization:
  a = 3.43606748431921, total energy = -12.325464038146333

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.4360674969852, total energy = -12.325464038146338

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4360675110481695, total energy = -12.325464038146333

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.4360674770548956, total energy = -12.32546403814633

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: 81
Results for this minimization:
  a = 3.4360674969851948, total energy = -12.325464038146345

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: 81
Results for this minimization:
  a = 3.436067508533597, total energy = -12.325464038146336

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 = 3.4360675005940746, total energy = -12.325464038146343

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: 77
Results for this minimization:
  a = 3.4360674873925774, total energy = -12.325464038146336

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: 74
Results for this minimization:
  a = 3.4360674915602436, total energy = -12.325464038146336

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.4360674976604075, total energy = -12.325464038146334

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: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.436067490838468, total energy = -12.325464038146334

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: 71
Results for this minimization:
  a = 3.4360675068572166, total energy = -12.325464038146338

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.436067516659387, total energy = -12.325464038146327

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: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.4360674841329457, 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: 75
Results for this minimization:
  a = 3.436067507276312, total energy = -12.32546403814634

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: 74
Results for this minimization:
  a = 3.43606748431921, total energy = -12.325464038146338

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: 74
Results for this minimization:
  a = 3.436067514866589, total energy = -12.325464038146336

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: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.4360674969851956, total energy = -12.325464038146341

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: 76
Results for this minimization:
  a = 3.4360674847033814, total energy = -12.325464038146338

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: 76
Results for this minimization:
  a = 3.4360675106523555, total energy = -12.325464038146333

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 = 3.436067499453202, total energy = -12.32546403814634

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: 78
Results for this minimization:
  a = 3.4360674957046253, total energy = -12.32546403814634

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.436067515675676, total energy = -12.32546403814633

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: 80
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: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.436067504208765, total energy = -12.325464038146338

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: 82
Results for this minimization:
  a = 3.436067508533597, total energy = -12.325464038146333

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.4360675053932903, 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 = -12.325464038146334

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: 82
Results for this minimization:
  a = 3.4360675126314173, total energy = -12.325464038146327

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.436067508906124, 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 = 3.4360674796480453, total energy = -12.32546403814634

==============================================================================
==============================================================================
 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: 74
         Function evaluations: 157
Results for this minimization:
  a = 3.4378098207203625, c = 5.605379056273888, total energy = -12.325497247693479

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: 80
         Function evaluations: 163
Results for this minimization:
  a = 3.4378098126990313, c = 5.605379030170452, total energy = -12.325497247693471

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: 150
Results for this minimization:
  a = 3.43780980189751, c = 5.60537909659526, total energy = -12.32549724769347

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: 64
         Function evaluations: 144
Results for this minimization:
  a = 3.4378097984969713, c = 5.605379075748537, total energy = -12.325497247693466

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: 69
         Function evaluations: 146
Results for this minimization:
  a = 3.437809799554624, c = 5.605379074258853, total energy = -12.325497247693473

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: 69
         Function evaluations: 147
Results for this minimization:
  a = 3.4378098084588706, c = 5.605378993884344, total energy = -12.32549724769347

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: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.437809799375592, c = 5.605379011921664, total energy = -12.32549724769347

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: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.4378098057365136, c = 5.605379024354372, total energy = -12.325497247693468

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: 70
         Function evaluations: 152
Results for this minimization:
  a = 3.4378098160192865, c = 5.605379037044822, total energy = -12.325497247693468

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

 Final lattice Constants:
   a = 3.4378098207203625 Angstroms, c = 5.605379056273888 Angstroms, c/a = 1.630509

 Total energy: -12.325497247693479 eV

 Cohesive energy: -3.0813743119233696 eV/atom

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