Element = Lattice = Model = Element: Sn
Lattice: hcp
Model: MEAM_LAMMPS_KimJeonLee_2015_MgSn__MO_935641703527_000
Computed model cutoff of 5.999999990463257 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: -12.322610
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.43977256417275, total energy = -12.32260992336842

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: -12.322610
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.4397725512972097, total energy = -12.322609923368423

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: -12.322610
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.4397725395392627, total energy = -12.322609923368436

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: -12.322610
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.439772552251825, total energy = -12.322609923368418

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: -12.322610
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.439772557094697, total energy = -12.322609923368422

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: -12.322610
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.439772533252837, total energy = -12.322609923368422

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: -12.322610
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.439772543730214, total energy = -12.322609923368423

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: -12.322610
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.4397725303424522, total energy = -12.322609923368425

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: -12.322610
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.4397725585848127, total energy = -12.32260992336842

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: -12.322610
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.439772555278616, total energy = -12.322609923368422

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: -12.322610
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.439772539772094, total energy = -12.322609923368425

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: -12.322610
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.439772538468239, total energy = -12.322609923368425

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: -12.322610
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.4397725397720933, total energy = -12.322609923368432

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: -12.322610
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.439772557094695, total energy = -12.32260992336842

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: -12.322610
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.439772550074852, total energy = -12.322609923368423

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: -12.322610
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.4397725380957134, total energy = -12.322609923368423

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: -12.322610
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.439772558212281, total energy = -12.322609923368416

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: -12.322610
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.4397725365124643, total energy = -12.322609923368427

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: -12.322610
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.4397725332528344, total energy = -12.322609923368425

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: -12.322610
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.439772551349597, total energy = -12.322609923368427

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: -12.322610
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 3.4397725440561766, total energy = -12.322609923368425

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: -12.322610
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.4397725120186804, total energy = -12.32260992336841

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: -12.322610
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.4397725202143192, total energy = -12.32260992336842

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: -12.322610
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.4397725189046455, total energy = -12.322609923368418

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: -12.322610
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.4397725582122796, total energy = -12.322609923368427

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: -12.322610
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.4397725408547557, total energy = -12.322609923368425

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: -12.322610
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.439772532321512, total energy = -12.322609923368429

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: -12.322610
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4397725323215127, total energy = -12.322609923368425

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: -12.322610
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.4397725448012326, total energy = -12.322609923368422

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: -12.322610
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.439772544056176, total energy = -12.322609923368427

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: -12.322610
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.439772545546294, total energy = -12.322609923368429

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: -12.322610
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.439772536279631, total energy = -12.322609923368427

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: -12.322610
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.4397725332528353, total energy = -12.322609923368425

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: -12.322610
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.4397725626826254, total energy = -12.322609923368416

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: -12.322610
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.439772557094692, total energy = -12.322609923368427

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: -12.322610
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.43977253898047, total energy = -12.32260992336842

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: -12.322610
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4397725435439463, total energy = -12.322609923368418

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: -12.322610
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.4397725397720933, total energy = -12.322609923368429

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: -12.322610
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.4397725375601986, total energy = -12.322609923368425

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: -12.322610
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.439772542845456, total energy = -12.322609923368425

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: -12.322610
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.439772556954988, total energy = -12.322609923368422

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.43977254] Angstroms and c = 4.493700028324623 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.322619
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 3.440791335844268, c = 5.613796886372504, total energy = -12.322619191097667

Attempting to perform relaxation using initial lattice constant guess of a = [3.43977254] Angstroms and c = 4.774556280094912 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.322619
         Iterations: 78
         Function evaluations: 161
Results for this minimization:
  a = 3.440791334148793, c = 5.61379693558124, total energy = -12.322619191097665

Attempting to perform relaxation using initial lattice constant guess of a = [3.43977254] Angstroms and c = 5.055412531865201 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.322619
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 3.4407913451824426, c = 5.613796918184149, total energy = -12.322619191097669

Attempting to perform relaxation using initial lattice constant guess of a = [3.43977254] Angstroms and c = 5.33626878363549 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.322619
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 3.440791322913017, c = 5.613796885379434, total energy = -12.322619191097665

Attempting to perform relaxation using initial lattice constant guess of a = [3.43977254] Angstroms and c = 5.617125035405779 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.322619
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.44079131884211, c = 5.613796877299066, total energy = -12.322619191097667

Attempting to perform relaxation using initial lattice constant guess of a = [3.43977254] Angstroms and c = 5.897981287176068 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.322619
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 3.440791348997305, c = 5.613796869061076, total energy = -12.322619191097663

Attempting to perform relaxation using initial lattice constant guess of a = [3.43977254] Angstroms and c = 6.1788375389463575 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.322619
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 3.440791321825291, c = 5.6137968845592106, total energy = -12.32261919109767

Attempting to perform relaxation using initial lattice constant guess of a = [3.43977254] Angstroms and c = 6.4596937907166465 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.322619
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.4407913347833596, c = 5.613796893386826, total energy = -12.322619191097669

Attempting to perform relaxation using initial lattice constant guess of a = [3.43977254] Angstroms and c = 6.740550042486936 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.322619
         Iterations: 76
         Function evaluations: 164
Results for this minimization:
  a = 3.4407913216326227, c = 5.613796894921503, total energy = -12.322619191097676

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

 Final lattice Constants:
   a = 3.4407913216326227 Angstroms, c = 5.613796894921503 Angstroms, c/a = 1.631542

 Total energy: -12.322619191097676 eV

 Cohesive energy: -3.080654797774419 eV/atom

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