Element = Lattice = Model = Element: He
Lattice: hcp
Model: Sim_LAMMPS_Hybrid_DuanXieGuo_2019__SM_016305073020_000
Computed model cutoff of 6.3953377773240545 Angstroms
Computed isolated atomic energy of 0.0 eV for species He

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.9275009837001593, total energy = -31.446826317381223

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: -31.446826
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.927500978857278, total energy = -31.44682631738121

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: -31.446826
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.927501022350043, total energy = -31.446826317381195

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: -31.446826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.927500974014407, total energy = -31.446826317381255

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: -31.446826
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9275010053999755, total energy = -31.44682631738122

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: -31.446826
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9275009575299933, total energy = -31.446826317381223

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: -31.446826
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.927500981045887, total energy = -31.44682631738122

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: -31.446826
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9275009848643094, total energy = -31.4468263173812

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: -31.446826
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.927500987052919, total energy = -31.446826317381213

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: -31.446826
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.92750098919496, total energy = -31.446826317381213

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: -31.446826
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9275009788572786, total energy = -31.44682631738121

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: -31.446826
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9275009856210086, total energy = -31.44682631738124

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: -31.446826
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.927501022350043, total energy = -31.44682631738118

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: -31.446826
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.927500990172848, total energy = -31.446826317381202

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: -31.446826
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.927500961720943, total energy = -31.44682631738119

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: -31.446826
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.927500931266695, total energy = -31.446826317381166

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: -31.446826
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.9275010053999724, total energy = -31.44682631738121

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: -31.446826
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9275009779667016, total energy = -31.44682631738121

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: -31.446826
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.927500957832671, total energy = -31.4468263173812

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: -31.446826
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.927500978857278, total energy = -31.446826317381216

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: -31.446826
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9275009800679976, total energy = -31.44682631738121

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: -31.446826
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9275009870529156, total energy = -31.446826317381202

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: -31.446826
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.92750098547549, total energy = -31.446826317381188

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: -31.446826
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.9275009959936114, total energy = -31.44682631738122

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: -31.446826
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9275009870529156, total energy = -31.44682631738121

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: -31.446826
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9275009699165833, total energy = -31.446826317381188

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: -31.446826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.927500971581319, total energy = -31.446826317381223

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: -31.446826
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9275009520351887, total energy = -31.44682631738121

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: -31.446826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9275009788572746, total energy = -31.446826317381213

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: -31.446826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.927501009032129, total energy = -31.44682631738119

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: -31.446826
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9275009856210117, total energy = -31.446826317381237

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: -31.446826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.927500957832669, total energy = -31.446826317381205

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: -31.446826
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9275010228157043, total energy = -31.446826317381163

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: -31.446826
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.9275009950390047, total energy = -31.446826317381234

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: -31.446826
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.927500989194957, total energy = -31.446826317381188

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: -31.446826
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9275010002777, total energy = -31.44682631738121

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: -31.446826
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 2.927500974270511, total energy = -31.446826317381227

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: -31.446826
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9275009520351887, total energy = -31.44682631738121

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: -31.446826
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.9275009684846687, total energy = -31.446826317381213

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: -31.446826
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9275010026991346, total energy = -31.44682631738121

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: -31.446826
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9275010053999653, total energy = -31.446826317381216

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: -31.446826
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9275009761564394, total energy = -31.446826317381202

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: -31.446826
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9275009779667016, total energy = -31.446826317381216

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: -31.446826
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.927500999881884, total energy = -31.446826317381213

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: -31.446826
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9275009599514252, total energy = -31.44682631738121

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.92750097] Angstroms and c = 3.824471257512562 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.446828
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.927772770979801, c = 4.779699435680566, total energy = -31.446827898736107

Attempting to perform relaxation using initial lattice constant guess of a = [2.92750097] Angstroms and c = 4.063500711107097 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.446828
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.9277727408363496, c = 4.779699458296571, total energy = -31.446827898736114

Attempting to perform relaxation using initial lattice constant guess of a = [2.92750097] Angstroms and c = 4.302530164701633 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.446828
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.9277726983980994, c = 4.779699563640857, total energy = -31.44682789873609

Attempting to perform relaxation using initial lattice constant guess of a = [2.92750097] Angstroms and c = 4.5415596182961675 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.446828
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.9277727459209255, c = 4.779699499014314, total energy = -31.446827898736107

Attempting to perform relaxation using initial lattice constant guess of a = [2.92750097] Angstroms and c = 4.780589071890702 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.446828
         Iterations: 75
         Function evaluations: 152
Results for this minimization:
  a = 2.927772741269713, c = 4.779699481154109, total energy = -31.44682789873612

Attempting to perform relaxation using initial lattice constant guess of a = [2.92750097] Angstroms and c = 5.019618525485238 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.446828
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.9277727398447597, c = 4.7796995764919155, total energy = -31.44682789873613

Attempting to perform relaxation using initial lattice constant guess of a = [2.92750097] Angstroms and c = 5.2586479790797735 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.446828
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.927772702298734, c = 4.779699594956141, total energy = -31.446827898736075

Attempting to perform relaxation using initial lattice constant guess of a = [2.92750097] Angstroms and c = 5.497677432674308 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.446828
         Iterations: 82
         Function evaluations: 169
Results for this minimization:
  a = 2.927772713882633, c = 4.779699562963643, total energy = -31.44682789873613

Attempting to perform relaxation using initial lattice constant guess of a = [2.92750097] Angstroms and c = 5.736706886268843 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.446828
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.927772725628474, c = 4.7796995486853415, total energy = -31.446827898736093

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

 Final lattice Constants:
   a = 2.9277727398447597 Angstroms, c = 4.7796995764919155 Angstroms, c/a = 1.632538

 Total energy: -31.44682789873613 eV

 Cohesive energy: -7.861706974684033 eV/atom

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