Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: SNAP_LiHuChen_2018_Cu__MO_529419924683_000
Computed model cutoff of 3.699999962747103 Angstroms
Computed isolated atomic energy of -1.5352350196281752 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: -10.244739
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.574504029750827, total energy = -10.244738830045042

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: -10.244739
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.574504026770591, total energy = -10.244738830045046

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: -10.244739
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.574504040181637, total energy = -10.244738830045046

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: -10.244739
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5745040367357483, total energy = -10.244738830045046

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: -10.244739
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.57450403571129, total energy = -10.244738830045042

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: -10.244739
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.574504013359549, total energy = -10.244738830045035

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: -10.244739
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5745040334761153, total energy = -10.244738830045046

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: -10.244739
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.574504040181637, total energy = -10.244738830045042

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: -10.244739
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.574504029750825, total energy = -10.24473883004505

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: -10.244739
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5745040301233537, total energy = -10.244738830045046

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: -10.244739
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5745040401816364, total energy = -10.24473883004505

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: -10.244739
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5745040421956213, total energy = -10.244738830045046

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: -10.244739
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5745040331967175, total energy = -10.24473883004505

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: -10.244739
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5745040334761145, total energy = -10.244738830045046

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: -10.244739
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.574504033662378, total energy = -10.244738830045046

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: -10.244739
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.5745040302426783, total energy = -10.24473883004505

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: -10.244739
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.574504035571588, total energy = -10.24473883004505

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: -10.244739
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5745040271431208, total energy = -10.244738830045046

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: -10.244739
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5745040236506607, total energy = -10.244738830045046

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: -10.244739
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.574504040181635, total energy = -10.244738830045042

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: -10.244739
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.574504028260707, total energy = -10.244738830045042

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: -10.244739
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.574504027888177, total energy = -10.244738830045042

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: -10.244739
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5745040359906852, total energy = -10.244738830045046

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.57450403] Angstroms and c = 3.363317980601922 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.244796
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.572866154459542, c = 4.209194595187004, total energy = -10.244796210267436

Attempting to perform relaxation using initial lattice constant guess of a = [2.57450403] Angstroms and c = 3.573525354389542 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.244796
         Iterations: 69
         Function evaluations: 154
Results for this minimization:
  a = 2.572866165513097, c = 4.209194565906833, total energy = -10.244796210267433

Attempting to perform relaxation using initial lattice constant guess of a = [2.57450403] Angstroms and c = 3.783732728177162 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.244796
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.5728661587915758, c = 4.209194606601972, total energy = -10.24479621026743

Attempting to perform relaxation using initial lattice constant guess of a = [2.57450403] Angstroms and c = 3.993940101964782 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.244796
         Iterations: 64
         Function evaluations: 142
Results for this minimization:
  a = 2.5728661612198955, c = 4.209194633323992, total energy = -10.244796210267426

Attempting to perform relaxation using initial lattice constant guess of a = [2.57450403] Angstroms and c = 4.204147475752402 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.244796
         Iterations: 64
         Function evaluations: 142
Results for this minimization:
  a = 2.57286617422348, c = 4.209194594030354, total energy = -10.244796210267426

Attempting to perform relaxation using initial lattice constant guess of a = [2.57450403] Angstroms and c = 4.414354849540022 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.244796
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.572866164116607, c = 4.2091945901448735, total energy = -10.24479621026743

Attempting to perform relaxation using initial lattice constant guess of a = [2.57450403] Angstroms and c = 4.624562223327642 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.244796
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.57286616958711, c = 4.209194600956849, total energy = -10.244796210267426

Attempting to perform relaxation using initial lattice constant guess of a = [2.57450403] Angstroms and c = 4.834769597115262 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.244796
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.5728661684043392, c = 4.20919456278582, total energy = -10.24479621026743

Attempting to perform relaxation using initial lattice constant guess of a = [2.57450403] Angstroms and c = 5.044976970902882 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.244796
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.5728661627997305, c = 4.209194615562756, total energy = -10.24479621026743

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

 Final lattice Constants:
   a = 2.572866154459542 Angstroms, c = 4.209194595187004 Angstroms, c/a = 1.635994

 Total energy: -10.244796210267436 eV

 Cohesive energy: -2.561199052566859 eV/atom

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