Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 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: -14.114732
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.557704043481502, total energy = -14.114731891117552

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: -14.114732
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.557704050838948, total energy = -14.114731891117545

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: -14.114732
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5577040352509357, total energy = -14.114731891117552

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: -14.114732
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5577040244825233, total energy = -14.114731891117549

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: -14.114732
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.557704042177651, total energy = -14.11473189111755

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: -14.114732
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5577040356816743, total energy = -14.11473189111755

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: -14.114732
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5577040255069736, total energy = -14.114731891117549

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: -14.114732
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.557704035192728, total energy = -14.11473189111755

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: -14.114732
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.557704031281175, total energy = -14.114731891117552

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: -14.114732
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.557704034354539, total energy = -14.114731891117549

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: -14.114732
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.557704050838948, total energy = -14.114731891117543

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: -14.114732
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.557704047695734, total energy = -14.11473189111755

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: -14.114732
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.557704031234607, total energy = -14.114731891117552

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: -14.114732
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5577040326781577, total energy = -14.114731891117554

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: -14.114732
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.557704025699058, total energy = -14.114731891117552

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: -14.114732
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.557704027649015, total energy = -14.11473189111755

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: -14.114732
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.557704044692218, total energy = -14.114731891117547

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: -14.114732
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.557704020291567, total energy = -14.114731891117552

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: -14.114732
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5577040402218705, total energy = -14.114731891117547

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: -14.114732
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5577040307223786, total energy = -14.11473189111755

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: -14.114732
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.557704030722378, total energy = -14.114731891117552

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: -14.114732
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5577040311647554, total energy = -14.11473189111755

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: -14.114732
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.557704035192728, total energy = -14.114731891117554

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: -14.114732
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5577040431206077, total energy = -14.114731891117554

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: -14.114732
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.557704031467437, total energy = -14.11473189111755

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: -14.114732
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.557704031909817, total energy = -14.114731891117552

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: -14.114732
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5577040343545354, total energy = -14.114731891117549

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: -14.114732
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.557704020291567, total energy = -14.11473189111755

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: -14.114732
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.557704030722376, total energy = -14.11473189111755

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: -14.114732
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.557704035565256, total energy = -14.11473189111755

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: -14.114732
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.557704047695735, total energy = -14.114731891117549

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: -14.114732
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.5577040252392145, total energy = -14.114731891117552

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: -14.114732
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5577040375210345, total energy = -14.114731891117552

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: -14.114732
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5577040154486843, total energy = -14.114731891117547

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55770403] Angstroms and c = 3.3413705563308365 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.55770403] Angstroms and c = 3.5502062161015138 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.55770403] Angstroms and c = 3.759041875872191 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.55770403] Angstroms and c = 3.9678775356428684 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.55770403] Angstroms and c = 4.176713195413546 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.55770403] Angstroms and c = 4.385548855184223 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.55770403] Angstroms and c = 4.5943845149549 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.55770403] Angstroms and c = 4.803220174725578 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.55770403] Angstroms and c = 5.012055834496255 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [2.55770403] Angstroms, c = [4.1767132] Angstroms, c/a = 1.632993

 Total energy: -14.114731891117554 eV

 Cohesive energy: -3.5286829727793885 eV/atom

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