Element = Lattice = Model = Element: user01
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 3.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species user01

==============================================================================
==============================================================================
 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: -33.308304
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 1.0916725041344764, total energy = -33.308304324695364

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: -33.308304
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.0916724943555889, total energy = -33.30830432469548

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: -33.308304
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.0916724976850674, total energy = -33.30830432469551

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: -33.308304
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 1.0916724935173985, total energy = -33.30830432469548

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: -33.308304
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 1.0916725058108556, total energy = -33.3083043246954

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: -33.308304
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.091672503855079, total energy = -33.30830432469543

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: -33.308304
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 1.0916724897921082, total energy = -33.308304324695285

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: -33.308304
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 1.0916724974813405, total energy = -33.30830432469534

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: -33.308304
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.091672493517398, total energy = -33.30830432469549

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: -33.308304
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 1.0916724980110284, total energy = -33.30830432469536

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: -33.308304
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 1.0916724935173958, total energy = -33.308304324695456

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: -33.308304
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 1.0916725020273599, total energy = -33.308304324695456

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: -33.308304
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 1.0916724976850674, total energy = -33.30830432469551

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: -33.308304
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 1.091672494355588, total energy = -33.30830432469544

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: -33.308304
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 1.0916724935173967, total energy = -33.308304324695484

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: -33.308304
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 1.0916725031798673, total energy = -33.308304324695385

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: -33.308304
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 1.0916725063696457, total energy = -33.30830432469542

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: -33.308304
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 1.0916725057177246, total energy = -33.30830432469544

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: -33.308304
         Iterations: 39
         Function evaluations: 79
Results for this minimization:
  a = 1.091672506730534, total energy = -33.30830432469554

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 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 = 3.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.3375000000000039 Angstroms and c = -0.5511351921262214 Angstroms; the model cutoff was estimated to be 3.999999990463257 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 = 3.5 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 = 3.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.3500000000000014 Angstroms and c = -0.5715476066494105 Angstroms; the model cutoff was estimated to be 3.999999990463257 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 = 3.625 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 = 3.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.3625000000000078 Angstroms and c = -0.5919600211726141 Angstroms; the model cutoff was estimated to be 3.999999990463257 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 = 3.75 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 = 3.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.375 Angstroms and c = -0.6123724356957945 Angstroms; the model cutoff was estimated to be 3.999999990463257 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 = 3.875 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 = 3.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.3875000000000117 Angstroms and c = -0.6327848502190068 Angstroms; the model cutoff was estimated to be 3.999999990463257 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 = 4.0 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 = 4.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.4000000000000039 Angstroms and c = -0.6531972647421872 Angstroms; the model cutoff was estimated to be 3.999999990463257 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 = [1.09167251] Angstroms and c = 1.4261549907812496 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.308304
         Iterations: 66
         Function evaluations: 139
Results for this minimization:
  a = 1.0916652369359379, c = 1.7827174405082395, total energy = -33.30830438207465

Attempting to perform relaxation using initial lattice constant guess of a = [1.09167251] Angstroms and c = 1.5152896777050777 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.308304
         Iterations: 74
         Function evaluations: 150
Results for this minimization:
  a = 1.091665246972966, c = 1.782717435454536, total energy = -33.30830438207455

Attempting to perform relaxation using initial lattice constant guess of a = [1.09167251] Angstroms and c = 1.6044243646289058 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.308304
         Iterations: 64
         Function evaluations: 138
Results for this minimization:
  a = 1.0916652481079452, c = 1.7827174339046041, total energy = -33.308304382074496

Attempting to perform relaxation using initial lattice constant guess of a = [1.09167251] Angstroms and c = 1.693559051552734 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.308304
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 1.0916652422699238, c = 1.7827174249069748, total energy = -33.30830438207458

Attempting to perform relaxation using initial lattice constant guess of a = [1.09167251] Angstroms and c = 1.782693738476562 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.308304
         Iterations: 66
         Function evaluations: 137
Results for this minimization:
  a = 1.091665248588563, c = 1.7827174285140037, total energy = -33.30830438207454

Attempting to perform relaxation using initial lattice constant guess of a = [1.09167251] Angstroms and c = 1.87182842540039 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.308304
         Iterations: 68
         Function evaluations: 139
Results for this minimization:
  a = 1.0916652453227418, c = 1.7827174225263995, total energy = -33.3083043820745

Attempting to perform relaxation using initial lattice constant guess of a = [1.09167251] Angstroms and c = 1.9609631123242182 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.308304
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 1.091665249185618, c = 1.782717446291186, total energy = -33.308304382074525

Attempting to perform relaxation using initial lattice constant guess of a = [1.09167251] Angstroms and c = 2.0500977992480465 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.308304
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 1.0916652523436206, c = 1.7827174489979525, total energy = -33.308304382074496

Attempting to perform relaxation using initial lattice constant guess of a = [1.09167251] Angstroms and c = 2.139232486171874 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.308304
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 1.0916652390410602, c = 1.7827174473041247, total energy = -33.308304382074596

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

 Final lattice Constants:
   a = 1.0916652369359379 Angstroms, c = 1.7827174405082395 Angstroms, c/a = 1.633026

 Total energy: -33.30830438207465 eV

 Cohesive energy: -8.327076095518663 eV/atom

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