Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000
Computed model cutoff of 5.999654209427576 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


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: -13.105145
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.572696812869987, total energy = -13.105145262579729

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: -13.105145
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5726968257222347, total energy = -13.10514526257979

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: -13.105145
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.572696825861933, total energy = -13.105145262579763

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: -13.105145
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5726968221366415, total energy = -13.105145262579729

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: -13.105145
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5726968355011195, total energy = -13.105145262579764

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: -13.105145
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.572696803510191, total energy = -13.10514526257972

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: -13.105145
         Iterations: 35
         Function evaluations: 71
Results for this minimization:
  a = 2.572696796630044, total energy = -13.105145262579745

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: -13.105145
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5726968381553887, total energy = -13.105145262579718

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: -13.105145
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5726967901282474, total energy = -13.105145262579764

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: -13.105145
         Iterations: 34
         Function evaluations: 77
Results for this minimization:
  a = 2.572696842253208, total energy = -13.105145262579725

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: -13.105145
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5726967935741425, total energy = -13.105145262579756

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: -13.105145
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5726968128699816, total energy = -13.10514526257974

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: -13.105145
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.572696795430965, total energy = -13.105145262579773

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: -13.105145
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.572696825722231, total energy = -13.105145262579763

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: -13.105145
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5726968421804486, total energy = -13.105145262579745

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: -13.105145
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.572696825861931, total energy = -13.105145262579748

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: -13.105145
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5726968155242496, total energy = -13.105145262579747

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: -13.105145
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.572696812357753, total energy = -13.105145262579734

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: -13.105145
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.572696769743924, total energy = -13.105145262579693

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: -13.105145
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.572696829389315, total energy = -13.10514526257978

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: -13.105145
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.572696827305477, total energy = -13.105145262579766

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: -13.105145
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.57269680481404, total energy = -13.105145262579773

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: -13.105145
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5726968051865717, total energy = -13.105145262579711

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: -13.105145
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.572696807316967, total energy = -13.105145262579697

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: -13.105145
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.572696879506111, total energy = -13.10514526257965

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: -13.105145
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5726968348026222, total energy = -13.105145262579715

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: -13.105145
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5726967805996517, total energy = -13.105145262579713

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: -13.105145
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5726967893540875, total energy = -13.105145262579732

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: -13.105145
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.572696796691158, total energy = -13.10514526257975

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: -13.105145
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.572696842253208, total energy = -13.105145262579727

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: -13.105145
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.572696784324939, total energy = -13.105145262579725

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.105145
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.572696793940849, total energy = -13.105145262579747

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.105145
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5726968186587347, total energy = -13.105145262579752

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.105145
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.572696812869978, total energy = -13.105145262579745

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.105145
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5726968348026276, total energy = -13.105145262579724

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.105145
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5726967926864686, total energy = -13.105145262579727

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.105145
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.5726968224102142, total energy = -13.105145262579743

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.300000000000001, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.57269683] Angstroms and c = 3.36095705914531 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 77
         Function evaluations: 157
Results for this minimization:
  a = 2.5689064958025982, c = 4.2111751202043255, total energy = -13.105455413657639

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269683] Angstroms and c = 3.5710168753418916 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 65
         Function evaluations: 138
Results for this minimization:
  a = 2.568906524129117, c = 4.211175035959462, total energy = -13.105455413657669

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269683] Angstroms and c = 3.7810766915384733 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.568906510715267, c = 4.211174952169878, total energy = -13.105455413657689

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269683] Angstroms and c = 3.991136507735055 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 64
         Function evaluations: 144
Results for this minimization:
  a = 2.5689064849898537, c = 4.211174979501093, total energy = -13.105455413657669

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269683] Angstroms and c = 4.201196323931637 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.5689064886581487, c = 4.211175024825463, total energy = -13.105455413657673

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269683] Angstroms and c = 4.411256140128218 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 2.5689064979676783, c = 4.211175051947382, total energy = -13.10545541365768

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269683] Angstroms and c = 4.6213159563248 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.568906485077256, c = 4.211175074472418, total energy = -13.105455413657678

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269683] Angstroms and c = 4.8313757725213815 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.5689065283936383, c = 4.211175042747474, total energy = -13.105455413657669

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269683] Angstroms and c = 5.041435588717963 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.5689065373423556, c = 4.211174984413196, total energy = -13.105455413657687

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

 Final lattice Constants:
   a = 2.568906510715267 Angstroms, c = 4.211174952169878 Angstroms, c/a = 1.639287

 Total energy: -13.105455413657689 eV

 Cohesive energy: -3.276363853414422 eV/atom

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