Element = Lattice = Model = Element: W
Lattice: hcp
Model: SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000
Computed model cutoff of 4.498799971528383 Angstroms
Computed isolated atomic energy of 7.940315191201208 eV for species W

==============================================================================
==============================================================================
 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: -29.718882
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8312911272048984, total energy = -29.71888181752541

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: -29.718882
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.831291133072227, total energy = -29.718881817525396

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: -29.718882
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.831291122478433, total energy = -29.718881817525414

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: -29.718882
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8312911219894943, total energy = -29.718881817525407

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: -29.718882
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.831291135586802, total energy = -29.718881817525403

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: -29.718882
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.831291121616961, total energy = -29.718881817525407

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: -29.718882
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8312911242246632, total energy = -29.718881817525403

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: -29.718882
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8312911285320297, total energy = -29.718881817525407

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: -29.718882
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8312911253422524, total energy = -29.718881817525396

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: -29.718882
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8312911221641124, total energy = -29.718881817525418

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: -29.718882
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.83129113977775, total energy = -29.718881817525393

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: -29.718882
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8312911189161234, total energy = -29.718881817525403

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: -29.718882
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.831291120266542, total energy = -29.7188818175254

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: -29.718882
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.83129112846218, total energy = -29.7188818175254

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: -29.718882
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8312911218614314, total energy = -29.718881817525403

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: -29.718882
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.831291121570394, total energy = -29.718881817525393

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: -29.718882
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.831291137263179, total energy = -29.718881817525393

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: -29.718882
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.831291137263179, total energy = -29.718881817525396

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: -29.718882
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8312911361455906, total energy = -29.718881817525403

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: -29.718882
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8312911242712286, total energy = -29.7188818175254

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: -29.718882
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8312911307439204, total energy = -29.718881817525396

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: -29.718882
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.831291137356309, total energy = -29.7188818175254

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: -29.718882
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8312911201501265, total energy = -29.718881817525393

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: -29.718882
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.831291126899302, total energy = -29.718881817525407

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: -29.718882
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8312911361455906, total energy = -29.718881817525403

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: -29.718882
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8312911194603667, total energy = -29.7188818175254

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: -29.718882
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.831291122362015, total energy = -29.7188818175254

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: -29.718882
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.831291127484292, total energy = -29.718881817525407

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: -29.718882
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.831291127204891, total energy = -29.7188818175254

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.83129112] Angstroms and c = 3.6987832333728363 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.728617
         Iterations: 79
         Function evaluations: 160
Results for this minimization:
  a = 2.8155516176965056, c = 4.676678452585343, total energy = -29.72861748582579

Attempting to perform relaxation using initial lattice constant guess of a = [2.83129112] Angstroms and c = 3.9299571854586386 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.728617
         Iterations: 76
         Function evaluations: 154
Results for this minimization:
  a = 2.8155516173644406, c = 4.676678479141151, total energy = -29.72861748582579

Attempting to perform relaxation using initial lattice constant guess of a = [2.83129112] Angstroms and c = 4.161131137544441 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.728617
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.815551604613283, c = 4.67667846240736, total energy = -29.728617485825783

Attempting to perform relaxation using initial lattice constant guess of a = [2.83129112] Angstroms and c = 4.392305089630243 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.728617
         Iterations: 63
         Function evaluations: 137
Results for this minimization:
  a = 2.815551609220895, c = 4.676678473505712, total energy = -29.728617485825787

Attempting to perform relaxation using initial lattice constant guess of a = [2.83129112] Angstroms and c = 4.623479041716045 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.728617
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.815551621451303, c = 4.676678469218453, total energy = -29.728617485825787

Attempting to perform relaxation using initial lattice constant guess of a = [2.83129112] Angstroms and c = 4.854652993801848 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.728617
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.8155516050104046, c = 4.676678483933365, total energy = -29.728617485825797

Attempting to perform relaxation using initial lattice constant guess of a = [2.83129112] Angstroms and c = 5.08582694588765 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.728617
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.8155516068772832, c = 4.676678465028308, total energy = -29.728617485825787

Attempting to perform relaxation using initial lattice constant guess of a = [2.83129112] Angstroms and c = 5.317000897973452 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.728617
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.81555160868951, c = 4.676678493287913, total energy = -29.72861748582578

Attempting to perform relaxation using initial lattice constant guess of a = [2.83129112] Angstroms and c = 5.5481748500592545 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.728617
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.8155516056605174, c = 4.67667849463726, total energy = -29.728617485825783

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

 Final lattice Constants:
   a = 2.8155516050104046 Angstroms, c = 4.676678483933365 Angstroms, c/a = 1.661017

 Total energy: -29.728617485825797 eV

 Cohesive energy: -7.432154371456449 eV/atom

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