Element = Lattice = Model = Element: Si
Lattice: hcp
Model: MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_000
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Si

==============================================================================
==============================================================================
 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: -15.716791
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9942618370056198, total energy = -15.716790563170632

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: -15.716791
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.994261851906776, total energy = -15.716790563170617

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: -15.716791
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9942618226632476, total energy = -15.716790563170626

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: -15.716791
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9942618351429777, total energy = -15.716790563170632

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: -15.716791
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.994261834095236, total energy = -15.71679056317063

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: -15.716791
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9942618347704433, total energy = -15.716790563170626

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: -15.716791
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9942618310451508, total energy = -15.716790563170632

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: -15.716791
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.994261830113828, total energy = -15.716790563170632

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: -15.716791
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.99426181316376, total energy = -15.71679056317062

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: -15.716791
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9942618436878563, total energy = -15.716790563170626

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: -15.716791
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9942618447821596, total energy = -15.716790563170628

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: -15.716791
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.994261831569019, total energy = -15.71679056317063

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: -15.716791
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.994261834770441, total energy = -15.716790563170628

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: -15.716791
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9942618206143385, total energy = -15.716790563170626

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: -15.716791
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.994261831045152, total energy = -15.716790563170626

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: -15.716791
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9942618372384464, total energy = -15.716790563170632

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: -15.716791
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.994261827040464, total energy = -15.716790563170628

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: -15.716791
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.994261831481708, total energy = -15.716790563170632

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: -15.716791
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9942618396133183, total energy = -15.716790563170633

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: -15.716791
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.99426183666219, total energy = -15.716790563170632

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: -15.716791
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.994261841312982, total energy = -15.716790563170628

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: -15.716791
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9942618302535253, total energy = -15.71679056317063

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: -15.716791
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.994261832907796, total energy = -15.71679056317063

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: -15.716791
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.994261822657424, total energy = -15.71679056317063

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: -15.716791
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.9942618392407887, total energy = -15.71679056317063

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: -15.716791
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.994261839753017, total energy = -15.716790563170626

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: -15.716791
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9942618377506713, total energy = -15.716790563170628

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: -15.716791
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9942618277855217, total energy = -15.71679056317063

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: -15.716791
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.99426184520125, total energy = -15.716790563170632

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: -15.716791
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.99426183382311, total energy = -15.716790563170633

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: -15.716791
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9942618370987493, total energy = -15.716790563170632

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: -15.716791
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9942618405213546, total energy = -15.716790563170632

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: -15.716791
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.994261832907796, total energy = -15.716790563170628

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: -15.716791
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9942618357221304, total energy = -15.716790563170633

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.99426184] Angstroms and c = 3.91168728711462 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.717124
         Iterations: 81
         Function evaluations: 170
Results for this minimization:
  a = 3.001867939854325, c = 4.864714684118473, total energy = -15.717124425854768

Attempting to perform relaxation using initial lattice constant guess of a = [2.99426184] Angstroms and c = 4.156167742559284 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.717124
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 3.0018679335149683, c = 4.864714653310694, total energy = -15.717124425854772

Attempting to perform relaxation using initial lattice constant guess of a = [2.99426184] Angstroms and c = 4.400648198003948 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.717124
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 3.0018679388689344, c = 4.8647146412972, total energy = -15.717124425854768

Attempting to perform relaxation using initial lattice constant guess of a = [2.99426184] Angstroms and c = 4.645128653448612 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.717124
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.001867920341686, c = 4.8647146670475045, total energy = -15.717124425854774

Attempting to perform relaxation using initial lattice constant guess of a = [2.99426184] Angstroms and c = 4.889609108893277 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.717124
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 3.0018679263046684, c = 4.864714618004345, total energy = -15.717124425854768

Attempting to perform relaxation using initial lattice constant guess of a = [2.99426184] Angstroms and c = 5.13408956433794 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.717124
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 3.0018679083569104, c = 4.8647146842534035, total energy = -15.717124425854772

Attempting to perform relaxation using initial lattice constant guess of a = [2.99426184] Angstroms and c = 5.378570019782604 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.717124
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 3.0018679460975326, c = 4.864714606352443, total energy = -15.717124425854767

Attempting to perform relaxation using initial lattice constant guess of a = [2.99426184] Angstroms and c = 5.623050475227268 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.717124
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 3.001867932474373, c = 4.864714622117553, total energy = -15.717124425854772

Attempting to perform relaxation using initial lattice constant guess of a = [2.99426184] Angstroms and c = 5.867530930671933 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.717124
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 3.001867911165641, c = 4.864714732785496, total energy = -15.71712442585477

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

 Final lattice Constants:
   a = 3.001867920341686 Angstroms, c = 4.8647146670475045 Angstroms, c/a = 1.620563

 Total energy: -15.717124425854774 eV

 Cohesive energy: -3.9292811064636934 eV/atom

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