Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: SNAP_ZuoChenLi_2019_Cu__MO_931672895580_000
Computed model cutoff of 4.099999969862441 Angstroms
Computed isolated atomic energy of -2.5491213275734035 eV for species Cu

==============================================================================
==============================================================================
 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: -6.163543
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.5715947210788754, total energy = -6.1635431597238615

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: -6.163543
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.571594716794788, total energy = -6.163543159723858

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: -6.163543
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5715947300195694, total energy = -6.1635431597238615

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: -6.163543
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5715947058983195, total energy = -6.163543159723858

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: -6.163543
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5715947106480623, total energy = -6.163543159723858

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: -6.163543
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5715947116725166, total energy = -6.163543159723865

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: -6.163543
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5715947180986416, total energy = -6.163543159723858

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: -6.163543
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5715946927666664, total energy = -6.16354315972384

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: -6.163543
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5715947084128863, total energy = -6.1635431597238615

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: -6.163543
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.571594714652747, total energy = -6.1635431597238615

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: -6.163543
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5715947116608735, total energy = -6.163543159723869

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: -6.163543
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5715947172604494, total energy = -6.1635431597238615

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: -6.163543
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5715947300195694, total energy = -6.163543159723858

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: -6.163543
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5715947158169, total energy = -6.163543159723865

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: -6.163543
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5715946987271305, total energy = -6.163543159723851

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: -6.163543
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5715947137912716, total energy = -6.163543159723865

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: -6.163543
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.571594721684231, total energy = -6.1635431597238615

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: -6.163543
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.571594722685404, total energy = -6.1635431597238615

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: -6.163543
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.571594698354601, total energy = -6.163543159723854

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: -6.163543
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5715947218239297, total energy = -6.163543159723869

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: 35
         Function evaluations: 101
Results for this minimization:
  a = 4.375, 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: 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 = [2.57159471] Angstroms and c = 3.3595172633646797 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.167621
         Iterations: 71
         Function evaluations: 146
Results for this minimization:
  a = 2.558108515698315, c = 4.240838337684906, total energy = -6.1676208203141165

Attempting to perform relaxation using initial lattice constant guess of a = [2.57159471] Angstroms and c = 3.569487092324972 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.167621
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.558108519878347, c = 4.240838331560839, total energy = -6.1676208203141165

Attempting to perform relaxation using initial lattice constant guess of a = [2.57159471] Angstroms and c = 3.7794569212852647 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.167621
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.55810852139948, c = 4.24083836024244, total energy = -6.167620820314109

Attempting to perform relaxation using initial lattice constant guess of a = [2.57159471] Angstroms and c = 3.989426750245557 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.167621
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.5581085190091244, c = 4.240838333193768, total energy = -6.167620820314109

Attempting to perform relaxation using initial lattice constant guess of a = [2.57159471] Angstroms and c = 4.19939657920585 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.167621
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.5581085048917664, c = 4.240838332919568, total energy = -6.167620820314113

Attempting to perform relaxation using initial lattice constant guess of a = [2.57159471] Angstroms and c = 4.409366408166142 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.167621
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.55810850784537, c = 4.240838379249166, total energy = -6.167620820314109

Attempting to perform relaxation using initial lattice constant guess of a = [2.57159471] Angstroms and c = 4.619336237126435 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.167621
         Iterations: 66
         Function evaluations: 148
Results for this minimization:
  a = 2.558108521886645, c = 4.240838367653633, total energy = -6.167620820314106

Attempting to perform relaxation using initial lattice constant guess of a = [2.57159471] Angstroms and c = 4.829306066086727 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.167621
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.558108516690319, c = 4.240838363697103, total energy = -6.167620820314113

Attempting to perform relaxation using initial lattice constant guess of a = [2.57159471] Angstroms and c = 5.03927589504702 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.167621
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.5581085283302016, c = 4.240838361565533, total energy = -6.167620820314109

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

 Final lattice Constants:
   a = 2.558108515698315 Angstroms, c = 4.240838337684906 Angstroms, c/a = 1.657802

 Total energy: -6.1676208203141165 eV

 Cohesive energy: -1.5419052050785291 eV/atom

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