Element = Lattice = Model = Element: U
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 13.969299993515014 Angstroms
Computed isolated atomic energy of 0.0 eV for species U

==============================================================================
==============================================================================
 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 13.969299993515014 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.125 Angstroms and c = 1.8371173070873836 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 1.25 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 = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.25 Angstroms and c = 2.041241452319315 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 1.375 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 = 1.375 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.375 Angstroms and c = 2.2453655975512468 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.812469702400272, total energy = -24.56969110148103

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: -24.569691
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8124696791172052, total energy = -24.56969110148105

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: -24.569691
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 3.8124697100953195, total energy = -24.56969110148112

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: -24.569691
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.8124697061721236, total energy = -24.56969110148109

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: -24.569691
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8124697089195294, total energy = -24.569691101481006

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: -24.569691
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.8124696910381335, total energy = -24.569691101481094

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: -24.569691
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.8124697219580415, total energy = -24.569691101481062

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: -24.569691
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.8124696936458307, total energy = -24.569691101481144

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: -24.569691
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.812469690106809, total energy = -24.569691101481087

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: -24.569691
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.8124697378836596, total energy = -24.569691101481098

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: -24.569691
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.8124696838553103, total energy = -24.569691101481094

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: -24.569691
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.8124697300605472, total energy = -24.569691101481045

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: -24.569691
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.812469747103753, total energy = -24.569691101481087

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: -24.569691
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.8124696910381317, total energy = -24.569691101481077

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: -24.569691
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.8124696791928736, total energy = -24.569691101481084

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: -24.569691
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.81246971760993, total energy = -24.569691101481062

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: -24.569691
         Iterations: 34
         Function evaluations: 69
Results for this minimization:
  a = 3.8124697100953204, total energy = -24.569691101481094

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: -24.569691
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.812469700147631, total energy = -24.56969110148113

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: -24.569691
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.8124697061721236, total energy = -24.5696911014811

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: -24.569691
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.8124697215971532, total energy = -24.569691101481105

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: -24.569691
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.812469710037112, total energy = -24.56969110148107

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: -24.569691
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.8124697142047816, total energy = -24.569691101481133

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: -24.569691
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.8124696902465067, total energy = -24.569691101481087

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: -24.569691
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.812469680677168, total energy = -24.56969110148106

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: -24.569691
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.8124697219580397, total energy = -24.56969110148108

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: -24.569691
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.8124696840299284, total energy = -24.569691101481013

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: -24.569691
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.812469693645835, total energy = -24.569691101481144

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: -24.569691
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.812469763867555, total energy = -24.569691101480917

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: -24.569691
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.812469690106809, total energy = -24.569691101481098

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: -24.569691
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.812469685752874, total energy = -24.56969110148099

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: -24.569691
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.8124697378836565, total energy = -24.569691101481077

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: -24.569691
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.8124697043560465, total energy = -24.569691101481204

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: -24.569691
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.8124696832150198, total energy = -24.56969110148108

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: -24.569691
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.812469711061567, total energy = -24.56969110148117

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: -24.569691
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.8124697300605437, total energy = -24.569691101481034

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: -24.569691
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.812469693037564, total energy = -24.569691101481055

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: -24.569691
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.8124697096645783, total energy = -24.569691101480988

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: -24.569691
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.8124697197723405, total energy = -24.56969110148105

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: -24.569691
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.8124696910381317, total energy = -24.569691101481087

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: -24.569691
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.8124697092454864, total energy = -24.56969110148107

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: -24.569691
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.812469679117198, total energy = -24.569691101481027

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: -24.569691
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.812469739839428, total energy = -24.569691101481045

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: -24.569691
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.812469718081407, total energy = -24.56969110148103

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: -24.569691
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.8124697142047808, total energy = -24.569691101481126

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: -24.569691
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.8124696932267383, total energy = -24.56969110148124

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: -24.569691
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.812469722621603, total energy = -24.56969110148105

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: -24.569691
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.812469700147624, total energy = -24.569691101481098

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: -24.569691
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8124696936458315, total energy = -24.5696911014811

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: -24.569691
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.8124697061721236, total energy = -24.569691101481094

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: -24.569691
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.812469674460594, total energy = -24.56969110148091

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: -24.569691
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.8124697215971426, total energy = -24.569691101481105

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: -24.569691
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.812469697179033, total energy = -24.569691101481066

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: -24.569691
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8124697100371083, total energy = -24.569691101481062

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: -24.569691
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.812469752971083, total energy = -24.569691101481038

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.812469714204785, total energy = -24.56969110148113

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8124697188846657, total energy = -24.569691101481116

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.8124696910381237, total energy = -24.569691101481098

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.812469705159306, total energy = -24.56969110148117

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.8124696912709624, total energy = -24.569691101481073

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.812469700341176, total energy = -24.569691101481116

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.812469721958029, total energy = -24.569691101481055

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.8124697243794716, total energy = -24.569691101481045

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.8124697051360235, total energy = -24.569691101481062

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.8124697061721236, total energy = -24.56969110148111

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.8124696936458387, total energy = -24.56969110148109

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.8124697098508347, total energy = -24.56969110148098

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.812469763867548, total energy = -24.569691101480913

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.8124697142047768, total energy = -24.569691101481137

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 3.812469690106809, total energy = -24.56969110148108

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

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.8124697158811656, total energy = -24.569691101481123

Attempting to perform relaxation using initial lattice constant guess of a = 10.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.812469681576464, total energy = -24.56969110148094

Attempting to perform relaxation using initial lattice constant guess of a = 10.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.812469695601604, total energy = -24.56969110148101

Attempting to perform relaxation using initial lattice constant guess of a = 10.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.8124697378836525, total energy = -24.569691101481087

Attempting to perform relaxation using initial lattice constant guess of a = 10.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.8124696910381317, total energy = -24.569691101481062

Attempting to perform relaxation using initial lattice constant guess of a = 10.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.8124696763232406, total energy = -24.56969110148093

Attempting to perform relaxation using initial lattice constant guess of a = 10.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.812469718884662, total energy = -24.56969110148112

Attempting to perform relaxation using initial lattice constant guess of a = 11.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.8124696832150122, total energy = -24.569691101481084

Attempting to perform relaxation using initial lattice constant guess of a = 11.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.812469699047501, total energy = -24.569691101481045

Attempting to perform relaxation using initial lattice constant guess of a = 11.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.812469711061567, total energy = -24.56969110148115

Attempting to perform relaxation using initial lattice constant guess of a = 11.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.8124697001534567, total energy = -24.569691101481034

Attempting to perform relaxation using initial lattice constant guess of a = 11.5 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 = 11.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1500000000000234 Angstroms and c = -1.8779421361338082 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 11.625 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 = 11.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1625000000000156 Angstroms and c = -1.8983545506569885 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 11.75 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 = 11.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1750000000000078 Angstroms and c = -1.9187669651801689 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 11.875 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 = 11.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1875 Angstroms and c = -1.9391793797033494 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 12.0 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 = 12.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2000000000000313 Angstroms and c = -1.9595917942265935 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 12.125 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 = 12.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2125000000000057 Angstroms and c = -1.980004208749745 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 12.25 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 = 12.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2250000000000156 Angstroms and c = -2.000416623272954 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 12.375 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 = 12.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2375000000000256 Angstroms and c = -2.0208290377961635 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 12.5 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 = 12.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.25 Angstroms and c = -2.041241452319315 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 12.625 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 = 12.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2625000000000313 Angstroms and c = -2.0616538668425592 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 12.75 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 = 12.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2750000000000057 Angstroms and c = -2.0820662813657105 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 12.875 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 = 12.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2875000000000156 Angstroms and c = -2.10247869588892 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 13.0 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 = 13.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3000000000000256 Angstroms and c = -2.1228911104121293 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 13.125 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 = 13.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3125 Angstroms and c = -2.143303524935281 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 13.25 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 = 13.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3250000000000313 Angstroms and c = -2.163715939458525 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 13.375 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 = 13.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3375000000000057 Angstroms and c = -2.1841283539816763 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 13.5 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 = 13.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3500000000000156 Angstroms and c = -2.2045407685048857 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 13.625 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 = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 13.75 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 = 13.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.375 Angstroms and c = -2.2453655975512468 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 13.875 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 = 13.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3875000000000313 Angstroms and c = -2.265778012074491 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = 14.0 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 = 14.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4000000000000057 Angstroms and c = -2.286190426597642 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = [3.81246969] Angstroms and c = 4.980589551056334 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 3.8124443497038163, c = 6.225819850389783, total energy = -24.569691143806384

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246969] Angstroms and c = 5.291876397997355 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 3.8124443746662737, c = 6.225819838264277, total energy = -24.56969114380635

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246969] Angstroms and c = 5.603163244938377 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 3.8124443462825957, c = 6.225819683431602, total energy = -24.569691143806402

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246969] Angstroms and c = 5.914450091879398 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.812444353890794, c = 6.225819689091685, total energy = -24.56969114380637

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246969] Angstroms and c = 6.225736938820419 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.812444352135037, c = 6.225819742418576, total energy = -24.569691143806416

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246969] Angstroms and c = 6.53702378576144 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 3.812444361311595, c = 6.225819724785781, total energy = -24.56969114380636

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246969] Angstroms and c = 6.848310632702462 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.8124443225122797, c = 6.225819682956507, total energy = -24.569691143806335

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246969] Angstroms and c = 7.159597479643483 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.8124443863709185, c = 6.225819670793613, total energy = -24.56969114380642

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246969] Angstroms and c = 7.470884326584504 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.569691
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 3.812444338514048, c = 6.225819703612128, total energy = -24.569691143806406

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

 Final lattice Constants:
   a = 3.8124443863709185 Angstroms, c = 6.225819670793613 Angstroms, c/a = 1.633026

 Total energy: -24.56969114380642 eV

 Cohesive energy: -6.142422785951605 eV/atom

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