Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005
Computed model cutoff of 3.717053969502455 Angstroms
Computed isolated atomic energy of 0.0 eV for species Si

==============================================================================
==============================================================================
 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: -10.121702
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.0593001440167473, total energy = -10.121702271820451

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: -10.121702
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.059300137928221, total energy = -10.121702271820446

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: -10.121702
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.05930015433114, total energy = -10.12170227182043

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: -10.121702
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.059300149232156, total energy = -10.12170227182044

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: -10.121702
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.05930013880134, total energy = -10.121702271820453

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: -10.121702
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.059300145925956, total energy = -10.121702271820455

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: -10.121702
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.059300143457949, total energy = -10.12170227182045

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: -10.121702
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 3.059300141001586, total energy = -10.121702271820444

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: -10.121702
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.0593001440167455, total energy = -10.121702271820446

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: -10.121702
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0593001437373477, total energy = -10.121702271820453

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: -10.121702
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0593001483008284, total energy = -10.121702271820446

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: -10.121702
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0593001423170776, total energy = -10.121702271820455

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: -10.121702
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 3.0593001419329084, total energy = -10.121702271820464

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: -10.121702
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0593001416651546, total energy = -10.121702271820453

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: -10.121702
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.0593001492321488, total energy = -10.121702271820448

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: -10.121702
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 3.0593001430854194, total energy = -10.121702271820455

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: -10.121702
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.0593001388013366, total energy = -10.121702271820459

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: -10.121702
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 3.0593001458328217, total energy = -10.121702271820457

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: -10.121702
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 3.0593001465313137, total energy = -10.121702271820459

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: -10.121702
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.0593001495581116, total energy = -10.121702271820446

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: -10.121702
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.059300148673356, total energy = -10.121702271820459

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: -10.121702
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.0593001400120556, total energy = -10.121702271820448

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: -10.121702
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.059300146676833, total energy = -10.121702271820453

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 3.996652969471883 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.689784
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 3.8557226182098576, c = 3.36837152664136, total energy = -11.689783740232995

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 4.246443780063876 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.689784
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 3.8557225802447257, c = 3.3683715342485696, total energy = -11.689783740233016

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 4.4962345906558685 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.121702
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.0593001462169758, c = 4.995816185389671, total energy = -10.12170227182045

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 4.746025401247862 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.121702
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 3.0593001336894226, c = 4.995816214085469, total energy = -10.121702271820446

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 4.9958162118398555 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.121702
         Iterations: 71
         Function evaluations: 144
Results for this minimization:
  a = 3.0593001423968635, c = 4.995816211104651, total energy = -10.121702271820453

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 5.245607022431848 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.121702
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.059300161924373, c = 4.995816168358967, total energy = -10.121702271820443

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 5.495397833023841 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.121702
         Iterations: 87
         Function evaluations: 176
Results for this minimization:
  a = 3.059300134788534, c = 4.995816255865294, total energy = -10.121702271820459

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 5.745188643615834 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.121702
         Iterations: 83
         Function evaluations: 171
Results for this minimization:
  a = 3.0593001542894878, c = 4.995816194644667, total energy = -10.12170227182045

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 5.994979454207828 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.121702
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 3.059300135776253, c = 4.995816253315599, total energy = -10.12170227182045