Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: SNAP_ZuoChenLi_2019_Ni__MO_365106510449_000
Computed model cutoff of 4.099999955631833 Angstroms
Computed isolated atomic energy of -2.893562887197528 eV for species Ni

==============================================================================
==============================================================================
 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: -11.514466
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5010727047920263, total energy = -11.514465952635181

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: -11.514466
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.501072707667481, total energy = -11.514465952635163

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: -11.514466
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5010727047920227, total energy = -11.514465952635167

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: -11.514466
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5010726828128145, total energy = -11.51446595263517

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: -11.514466
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.501072703301909, total energy = -11.51446595263517

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: -11.514466
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5010726942215125, total energy = -11.514465952635167

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: -11.514466
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.501072700507939, total energy = -11.51446595263516

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: -11.514466
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.501072695478797, total energy = -11.514465952635174

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: -11.514466
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5010726928710953, total energy = -11.514465952635167

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: -11.514466
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.501072698086501, total energy = -11.514465952635177

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: -11.514466
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.501072697085329, total energy = -11.514465952635181

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: -11.514466
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.5010726831853383, total energy = -11.514465952635163

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: -11.514466
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5010727047920227, total energy = -11.51446595263517

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: -11.514466
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5010726970853283, total energy = -11.514465952635174

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: -11.514466
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.501072700228541, total energy = -11.514465952635174

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: -11.514466
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.501072697620838, total energy = -11.514465952635174

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: -11.514466
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5010727033019053, total energy = -11.514465952635174

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: -11.514466
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5010727089829743, total energy = -11.51446595263516

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: -11.514466
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.501072705723344, total energy = -11.51446595263517

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: -11.514466
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5010726987617087, total energy = -11.51446595263517

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: -11.514466
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5010727031156414, total energy = -11.514465952635163

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 4.168750000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 96
Results for this minimization:
  a = 4.125, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 96
Results for this minimization:
  a = 4.262500000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 94
Results for this minimization:
  a = 4.2, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 4.125, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.5010727] Angstroms and c = 3.267387699382959 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.517168
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.4919121692308597, c = 4.111798157882473, total energy = -11.517168291956402

Attempting to perform relaxation using initial lattice constant guess of a = [2.5010727] Angstroms and c = 3.471599430594394 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.517168
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 2.491912150756746, c = 4.111798217242486, total energy = -11.517168291956398

Attempting to perform relaxation using initial lattice constant guess of a = [2.5010727] Angstroms and c = 3.6758111618058287 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.517168
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.491912151230535, c = 4.1117982347880755, total energy = -11.517168291956395

Attempting to perform relaxation using initial lattice constant guess of a = [2.5010727] Angstroms and c = 3.8800228930172636 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.517168
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.49191216288202, c = 4.111798212246967, total energy = -11.517168291956402

Attempting to perform relaxation using initial lattice constant guess of a = [2.5010727] Angstroms and c = 4.084234624228698 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.517168
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.491912165957599, c = 4.111798171832331, total energy = -11.517168291956398

Attempting to perform relaxation using initial lattice constant guess of a = [2.5010727] Angstroms and c = 4.288446355440133 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.517168
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.491912146356972, c = 4.111798228421544, total energy = -11.517168291956402

Attempting to perform relaxation using initial lattice constant guess of a = [2.5010727] Angstroms and c = 4.492658086651568 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.517168
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.491912159658381, c = 4.111798223322284, total energy = -11.517168291956398

Attempting to perform relaxation using initial lattice constant guess of a = [2.5010727] Angstroms and c = 4.6968698178630035 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.517168
         Iterations: 77
         Function evaluations: 153
Results for this minimization:
  a = 2.4919121657379195, c = 4.111798210346905, total energy = -11.517168291956398

Attempting to perform relaxation using initial lattice constant guess of a = [2.5010727] Angstroms and c = 4.901081549074438 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.517168
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.491912152168368, c = 4.111798207887714, total energy = -11.517168291956402

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

 Final lattice Constants:
   a = 2.4919121692308597 Angstroms, c = 4.111798157882473 Angstroms, c/a = 1.650057

 Total energy: -11.517168291956402 eV

 Cohesive energy: -2.8792920729891005 eV/atom

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