Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.049300004020374 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mg

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.0 Angstroms and c = 1.632993161855452 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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: -2.617326
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.74264156948775, total energy = -2.6173260489925743

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: -2.617326
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7426415905356407, total energy = -2.6173260489925685

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: -2.617326
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7426415764377525, total energy = -2.617326048992581

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: -2.617326
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7426415723515705, total energy = -2.61732604899257

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: -2.617326
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.742641553957948, total energy = -2.6173260489925667

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: -2.617326
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.742641570256092, total energy = -2.6173260489925707

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: -2.617326
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7426415763329715, total energy = -2.6173260489925694

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: -2.617326
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7426415596157327, total energy = -2.617326048992564

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: -2.617326
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.742641569126864, total energy = -2.617326048992568

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: -2.617326
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.742641569487751, total energy = -2.6173260489925725

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: -2.617326
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7426415724621616, total energy = -2.617326048992572

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: -2.617326
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7426415905356407, total energy = -2.6173260489925667

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: -2.617326
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.742641579546034, total energy = -2.6173260489925747

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: -2.617326
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.7426415705471303, total energy = -2.6173260489925694

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: -2.617326
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7426416188478475, total energy = -2.617326048992562

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: -2.617326
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7426415694877497, total energy = -2.617326048992573

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: -2.617326
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.742641547229141, total energy = -2.617326048992567

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: -2.617326
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7426415488123883, total energy = -2.6173260489925596

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: -2.617326
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.742641551047563, total energy = -2.617326048992576

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: -2.617326
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7426415702560902, total energy = -2.617326048992568

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: -2.617326
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7426415905356385, total energy = -2.6173260489925703

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: -2.617326
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7426415763329715, total energy = -2.61732604899257

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: -2.617326
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.742641585087399, total energy = -2.6173260489925743

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: -2.617326
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7426415413618077, total energy = -2.617326048992557

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: -2.617326
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.742641569810805, total energy = -2.6173260489925676

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: -2.617326
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7426415691268606, total energy = -2.61732604899257

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: -2.617326
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.742641588774859, total energy = -2.6173260489925787

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: -2.617326
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7426415694877466, total energy = -2.6173260489925685

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: -2.617326
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7426415763329692, total energy = -2.6173260489925703

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: -2.617326
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7426415762223786, total energy = -2.6173260489925756

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: -2.617326
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.7426415490393956, total energy = -2.6173260489925636

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: -2.617326
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7426415905356407, total energy = -2.6173260489925676

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: -2.617326
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.742641583517247, total energy = -2.617326048992577

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: -2.617326
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.74264158150181, total energy = -2.617326048992574

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: -2.617326
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7426415815018137, total energy = -2.617326048992574

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: -2.617326
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7426415714435253, total energy = -2.617326048992569

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: -2.617326
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.742641591699794, total energy = -2.6173260489925734

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: -2.617326
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.742641618847842, total energy = -2.6173260489925574

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: -2.617326
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.7426415899652032, total energy = -2.617326048992577

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: -2.617326
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.742641575494773, total energy = -2.617326048992578

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.742641556911982, total energy = -2.6173260489925787

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.742641547229141, total energy = -2.6173260489925676

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7426415692258135, total energy = -2.617326048992567

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7426415512338216, total energy = -2.6173260489925623

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7426415945170364, total energy = -2.6173260489925716

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7426415510475595, total energy = -2.617326048992571

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.742641576405731, total energy = -2.6173260489925756

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7426415652036646, total energy = -2.6173260489925694

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7426415842957725, total energy = -2.6173260489925765

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.7426415893540157, total energy = -2.617326048992576

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.74264156799763, total energy = -2.6173260489925854

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.7426415763329715, total energy = -2.617326048992572

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.7426415541674993, total energy = -2.6173260489925654

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.742641580756739, total energy = -2.6173260489925703

Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.742641579546025, total energy = -2.6173260489925743

Attempting to perform relaxation using initial lattice constant guess of a = 8.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 2.74264156557619, total energy = -2.617326048992574

Attempting to perform relaxation using initial lattice constant guess of a = 8.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7426415954250842, total energy = -2.6173260489925676

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8249999999999922 Angstroms and c = -1.3472193585307353 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8500000000000156 Angstroms and c = -1.3880441875771599 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9125000000000156 Angstroms and c = -1.4901062601931256 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9250000000000078 Angstroms and c = -1.510518674716306 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9375 Angstroms and c = -1.5309310892394863 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9499999999999922 Angstroms and c = -1.5513435037626666 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9750000000000156 Angstroms and c = -1.5921683328090912 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9875000000000078 Angstroms and c = -1.6125807473322717 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 10.049300004020374 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.74264157] Angstroms and c = 3.582971940768516 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.7426233485055, c = 4.478774477547534, total energy = -2.61732605350135

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264157] Angstroms and c = 3.8069076870665484 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.7426233265552855, c = 4.4787744743678655, total energy = -2.617326053501353

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264157] Angstroms and c = 4.030843433364581 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.7426233304274095, c = 4.478774563501348, total energy = -2.617326053501346

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264157] Angstroms and c = 4.254779179662613 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 70
         Function evaluations: 143
Results for this minimization:
  a = 2.7426233257597894, c = 4.478774503046311, total energy = -2.6173260535013525

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264157] Angstroms and c = 4.478714925960645 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.7426233303579837, c = 4.47877448725799, total energy = -2.617326053501353

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264157] Angstroms and c = 4.702650672258677 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 2.7426233231534596, c = 4.478774459180622, total energy = -2.617326053501353

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264157] Angstroms and c = 4.92658641855671 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.742623301862096, c = 4.478774500415824, total energy = -2.6173260535013454

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264157] Angstroms and c = 5.150522164854742 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.74262330030085, c = 4.478774545877356, total energy = -2.6173260535013467

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264157] Angstroms and c = 5.374457911152774 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.617326
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.742623306658221, c = 4.478774541770716, total energy = -2.6173260535013427

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

 Final lattice Constants:
   a = 2.7426233265552855 Angstroms, c = 4.4787744743678655 Angstroms, c/a = 1.633026

 Total energy: -2.617326053501353 eV

 Cohesive energy: -0.6543315133753382 eV/atom

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