Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: SNAP_ZuoChenLi_2019quadratic_Ni__MO_263593395744_000
Computed model cutoff of 3.7999999180436177 Angstroms
Computed isolated atomic energy of 0.0226993107856932 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: -435.298689
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 1.80650662854314, total energy = -435.298689392488

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: -435.298689
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 1.8065066258423035, total energy = -435.29868939248695

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: -435.298689
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 1.8065066286362708, total energy = -435.2986893924868

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: -435.298689
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.8065066265582592, total energy = -435.29868939248655

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: -435.298689
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 1.8065066269598908, total energy = -435.29868939248706

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: -435.298689
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 1.8065066259820015, total energy = -435.29868939248854

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: -435.298689
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.8065066278912127, total energy = -435.29868939248695

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: -435.298689
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.806506625842303, total energy = -435.29868939248786

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: -435.298689
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 1.8065066240727905, total energy = -435.29868939248723

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: -23.176341
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.495906291063875, total energy = -23.176341028694736

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: -23.176341
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4959063172340406, total energy = -23.176341028694868

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: -23.176341
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4959063071757566, total energy = -23.17634102869484

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: -23.176341
         Iterations: 32
         Function evaluations: 72
Results for this minimization:
  a = 2.495906323194504, total energy = -23.176341028694818

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: -23.176341
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4959063086425877, total energy = -23.17634102869482

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: -23.176341
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4959063074085854, total energy = -23.176341028694903

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: -23.176341
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4959063120651988, total energy = -23.176341028694807

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: -23.176341
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.495906312763689, total energy = -23.176341028694775

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: -23.176341
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4959063273854554, total energy = -23.176341028694836

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: -23.176341
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4959063410758966, total energy = -23.1763410286948

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: -435.298689
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 1.806506627937777, total energy = -435.29868939248655

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: 0.000000
         Iterations: 33
         Function evaluations: 96
Results for this minimization:
  a = 3.8500000000000005, total energy = 0.0

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: 32
         Function evaluations: 94
Results for this minimization:
  a = 3.8062500000000004, 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: 32
         Function evaluations: 94
Results for this minimization:
  a = 3.9375, 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: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.875, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [1.80650663] Angstroms and c = 2.3600103736601388 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -471.665844
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 1.8410047508340681, c = 2.7770258903264278, total energy = -471.6658440493702

Attempting to perform relaxation using initial lattice constant guess of a = [1.80650663] Angstroms and c = 2.5075110220138974 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -471.665844
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 1.8410047472253637, c = 2.7770258866326833, total energy = -471.66584404937146

Attempting to perform relaxation using initial lattice constant guess of a = [1.80650663] Angstroms and c = 2.655011670367656 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -471.665844
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 1.841004744679168, c = 2.777025897875894, total energy = -471.6658440493708

Attempting to perform relaxation using initial lattice constant guess of a = [1.80650663] Angstroms and c = 2.8025123187214147 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -471.665844
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 1.8410047491636967, c = 2.7770259009291376, total energy = -471.6658440493709

Attempting to perform relaxation using initial lattice constant guess of a = [1.80650663] Angstroms and c = 2.9500129670751734 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -471.665844
         Iterations: 71
         Function evaluations: 146
Results for this minimization:
  a = 1.8410047471720177, c = 2.7770259030968134, total energy = -471.6658440493726

Attempting to perform relaxation using initial lattice constant guess of a = [1.80650663] Angstroms and c = 3.097513615428932 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -471.665844
         Iterations: 76
         Function evaluations: 149
Results for this minimization:
  a = 1.841004743971185, c = 2.777025896685287, total energy = -471.6658440493711

Attempting to perform relaxation using initial lattice constant guess of a = [1.80650663] Angstroms and c = 3.2450142637826906 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -471.665844
         Iterations: 78
         Function evaluations: 163
Results for this minimization:
  a = 1.8410047470063278, c = 2.7770258992715426, total energy = -471.66584404937163

Attempting to perform relaxation using initial lattice constant guess of a = [1.80650663] Angstroms and c = 3.3925149121364493 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -471.665844
         Iterations: 80
         Function evaluations: 167
Results for this minimization:
  a = 1.8410047484769119, c = 2.7770258801224577, total energy = -471.66584404937186

Attempting to perform relaxation using initial lattice constant guess of a = [1.80650663] Angstroms and c = 3.540015560490208 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -471.665844
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 1.8410047488905792, c = 2.777025893226856, total energy = -471.6658440493712

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

 Final lattice Constants:
   a = 1.8410047471720177 Angstroms, c = 2.7770259030968134 Angstroms, c/a = 1.508430

 Total energy: -471.6658440493726 eV

 Cohesive energy: -117.91646101234315 eV/atom

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