Element = Lattice = Model = Element: He
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 1.9956100070476916 Angstroms
Computed isolated atomic energy of 0.0 eV for species He

==============================================================================
==============================================================================
 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: -0.031380
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 0.544638681411743, total energy = -0.031379750275024855

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: -0.031380
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 0.5446386810857788, total energy = -0.03137975027502493

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: -0.031380
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 0.5446386833209544, total energy = -0.03137975027502503

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: -0.031380
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 0.5446386869763944, total energy = -0.03137975027502501

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: -0.031380
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 0.5446386826224603, total energy = -0.031379750275024855

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: -0.031380
         Iterations: 38
         Function evaluations: 77
Results for this minimization:
  a = 0.5446386876516025, total energy = -0.03137975027502499

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 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 = 1.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.1750000000000007 Angstroms and c = -0.28577380332470526 Angstroms; the model cutoff was estimated to be 1.9956100070476916 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 = 1.875 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 = 1.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.1875 Angstroms and c = -0.30618621784789724 Angstroms; the model cutoff was estimated to be 1.9956100070476916 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 = 2.0 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 = 2.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.20000000000000195 Angstroms and c = -0.3265986323710936 Angstroms; the model cutoff was estimated to be 1.9956100070476916 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 = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 31
         Function evaluations: 92
Results for this minimization:
  a = 2.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.5, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.625, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [0.54463868] Angstroms and c = 0.7115129964360606 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.031380
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 0.5446350596102378, c = 0.8894030771078467, total energy = -0.03137975032908174

Attempting to perform relaxation using initial lattice constant guess of a = [0.54463868] Angstroms and c = 0.7559825587133143 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.031380
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 0.5446350704729261, c = 0.8894030665211086, total energy = -0.03137975032908173

Attempting to perform relaxation using initial lattice constant guess of a = [0.54463868] Angstroms and c = 0.8004521209905681 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.031380
         Iterations: 73
         Function evaluations: 145
Results for this minimization:
  a = 0.5446350667109789, c = 0.8894030652143712, total energy = -0.03137975032908187

Attempting to perform relaxation using initial lattice constant guess of a = [0.54463868] Angstroms and c = 0.8449216832678218 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.031380
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 0.5446350662199296, c = 0.8894030843461, total energy = -0.03137975032908183

Attempting to perform relaxation using initial lattice constant guess of a = [0.54463868] Angstroms and c = 0.8893912455450755 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.031380
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 0.5446350656422649, c = 0.8894030649264968, total energy = -0.03137975032908184

Attempting to perform relaxation using initial lattice constant guess of a = [0.54463868] Angstroms and c = 0.9338608078223293 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.031380
         Iterations: 71
         Function evaluations: 141
Results for this minimization:
  a = 0.5446350663039388, c = 0.8894030864029243, total energy = -0.03137975032908165

Attempting to perform relaxation using initial lattice constant guess of a = [0.54463868] Angstroms and c = 0.978330370099583 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.031380
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 0.5446350631770984, c = 0.8894030855850528, total energy = -0.031379750329081774

Attempting to perform relaxation using initial lattice constant guess of a = [0.54463868] Angstroms and c = 1.0227999323768366 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.031380
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 0.544635059415985, c = 0.889403087962828, total energy = -0.031379750329081704

Attempting to perform relaxation using initial lattice constant guess of a = [0.54463868] Angstroms and c = 1.0672694946540906 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.031380
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 0.5446350638973406, c = 0.8894030781340314, total energy = -0.03137975032908192

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

 Final lattice Constants:
   a = 0.5446350638973406 Angstroms, c = 0.8894030781340314 Angstroms, c/a = 1.633026

 Total energy: -0.03137975032908192 eV

 Cohesive energy: -0.00784493758227048 eV/atom

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