Element = Lattice = Model = Element: Kr
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 8.267540003731883 Angstroms
Computed isolated atomic energy of 0.0 eV for species Kr

==============================================================================
==============================================================================
 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: -0.577153
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.2563669798895747, total energy = -0.5771528306503977

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: -0.577153
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.2563669707626097, total energy = -0.5771528306503978

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: -0.577153
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.256366976420395, total energy = -0.5771528306503991

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: -0.577153
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.2563669882714787, total energy = -0.5771528306503965

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: -0.577153
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.256366967549549, total energy = -0.5771528306504

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: -0.577153
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.256366982031614, total energy = -0.5771528306503995

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: -0.577153
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.2563669820316132, total energy = -0.5771528306503998

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: -0.577153
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.2563669848022982, total energy = -0.5771528306503981

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: -0.577153
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.256366979889573, total energy = -0.5771528306503974

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: -0.577153
         Iterations: 31
         Function evaluations: 66
Results for this minimization:
  a = 2.256366975035053, total energy = -0.577152830650398

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: -0.577153
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.2563669707626097, total energy = -0.5771528306503981

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: -0.577153
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.256367000302999, total energy = -0.5771528306503952

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: -0.577153
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.256366976420395, total energy = -0.5771528306503995

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: -0.577153
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.2563669707451477, total energy = -0.5771528306503969

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: -0.577153
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.2563669882714743, total energy = -0.5771528306503957

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: -0.577153
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.256366980378515, total energy = -0.5771528306503975

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: -0.577153
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.2563669675495452, total energy = -0.5771528306503999

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: -0.577153
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.2563669833471067, total energy = -0.577152830650398

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: -0.577153
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.2563669820316123, total energy = -0.5771528306503997

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: -0.577153
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.2563669707626097, total energy = -0.577152830650398

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: -0.577153
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.2563669694820403, total energy = -0.5771528306503957

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: -0.577153
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.256366987229555, total energy = -0.5771528306503969

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: -0.577153
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.2563669848022982, total energy = -0.5771528306503981

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: -0.577153
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.2563669712806544, total energy = -0.577152830650396

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: -0.577153
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.2563669798895702, total energy = -0.5771528306503972

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: -0.577153
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.2563669826369748, total energy = -0.5771528306503992

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: -0.577153
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.2563669750350495, total energy = -0.5771528306503976

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: -0.577153
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.256366970745148, total energy = -0.5771528306503969

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: -0.577153
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.2563669707626044, total energy = -0.5771528306503974

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: -0.577153
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.256366956894634, total energy = -0.5771528306503965

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: -0.577153
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.256366980395981, total energy = -0.5771528306503967

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: -0.577153
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.256366982636969, total energy = -0.5771528306503982

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: -0.577153
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.256366975605488, total energy = -0.5771528306503964

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: -0.577153
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.2563669792376397, total energy = -0.5771528306503984

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: -0.577153
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.2563669691560766, total energy = -0.5771528306503971

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: -0.577153
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.2563669795170447, total energy = -0.5771528306503979

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: -0.577153
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.2563669811002867, total energy = -0.5771528306503955

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: -0.577153
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.256366968562361, total energy = -0.5771528306503968

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: -0.577153
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.256366982520551, total energy = -0.5771528306503987

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: -0.577153
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.256366986873034, total energy = -0.5771528306503969

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: -0.577153
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.256366983056059, total energy = -0.5771528306503961

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: -0.577153
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.2563669651222837, total energy = -0.5771528306503984

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: -0.577153
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.2563669833471067, total energy = -0.5771528306503979

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: -0.577153
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.2563669764203933, total energy = -0.5771528306503992

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: -0.577153
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.2563669794588272, total energy = -0.5771528306503957

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: -0.577153
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.2563669528812076, total energy = -0.5771528306503951

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: -0.577153
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.256366970762606, total energy = -0.5771528306503978

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 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 = 6.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6875 Angstroms and c = -1.1226827987756234 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 7.0 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 = 7.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7000000000000028 Angstroms and c = -1.143095213298821 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 7.125 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 = 7.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7125000000000128 Angstroms and c = -1.1635076278220304 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 7.25 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 = 7.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7250000000000156 Angstroms and c = -1.1839200423452283 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 7.375 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 = 7.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7375000000000078 Angstroms and c = -1.2043324568684086 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 7.5 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 = 7.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.75 Angstroms and c = -1.224744871391589 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 7.625 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 = 7.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7624999999999922 Angstroms and c = -1.2451572859147695 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 7.75 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 = 7.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7750000000000234 Angstroms and c = -1.2655697004380135 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 7.875 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 = 7.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7875000000000156 Angstroms and c = -1.285982114961194 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 8.0 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 = 8.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8000000000000078 Angstroms and c = -1.3063945294843744 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 8.125 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 = 8.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8125 Angstroms and c = -1.3268069440075547 Angstroms; the model cutoff was estimated to be 8.267540003731883 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 = 8.25 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 8.267540003731883 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 8.267540003731883 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 = [2.25636697] Angstroms and c = 2.9477054629159487 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.577153
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.2563519651371067, c = 3.6846807675290894, total energy = -0.5771528316446377

Attempting to perform relaxation using initial lattice constant guess of a = [2.25636697] Angstroms and c = 3.1319370543481955 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.577153
         Iterations: 78
         Function evaluations: 163
Results for this minimization:
  a = 2.256351989650308, c = 3.6846807936596884, total energy = -0.5771528316446384

Attempting to perform relaxation using initial lattice constant guess of a = [2.25636697] Angstroms and c = 3.3161686457804422 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.577153
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.256351973746182, c = 3.684680836323155, total energy = -0.5771528316446394

Attempting to perform relaxation using initial lattice constant guess of a = [2.25636697] Angstroms and c = 3.500400237212689 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.577153
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.256351964656308, c = 3.684680852195151, total energy = -0.5771528316446389

Attempting to perform relaxation using initial lattice constant guess of a = [2.25636697] Angstroms and c = 3.6846318286449358 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.577153
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.256351968179697, c = 3.684680850582458, total energy = -0.5771528316446395

Attempting to perform relaxation using initial lattice constant guess of a = [2.25636697] Angstroms and c = 3.8688634200771825 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.577153
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.2563519835363737, c = 3.6846808126015476, total energy = -0.5771528316446398

Attempting to perform relaxation using initial lattice constant guess of a = [2.25636697] Angstroms and c = 4.053095011509429 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.577153
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.2563519611176845, c = 3.6846808423262454, total energy = -0.5771528316446405

Attempting to perform relaxation using initial lattice constant guess of a = [2.25636697] Angstroms and c = 4.2373266029416765 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.577153
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.2563519708727435, c = 3.684680830210657, total energy = -0.5771528316446389

Attempting to perform relaxation using initial lattice constant guess of a = [2.25636697] Angstroms and c = 4.421558194373922 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.577153
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 2.256351985655641, c = 3.6846808118396597, total energy = -0.5771528316446377

Attempting to perform relaxation using initial lattice constant guess of a = [2.25636697] Angstroms and c = 4.60578978580617 = ([2.04124145] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.577153
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.2563519567036727, c = 3.684680872812678, total energy = -0.5771528316446383

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

 Final lattice Constants:
   a = 2.2563519611176845 Angstroms, c = 3.6846808423262454 Angstroms, c/a = 1.633026

 Total energy: -0.5771528316446405 eV

 Cohesive energy: -0.14428820791116012 eV/atom

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