Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_002
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 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: -17.715464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.491371870040897, total energy = -17.71546397501638

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: -17.715464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.491371855977922, total energy = -17.715463975016387

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: -17.715464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4913718700408936, total energy = -17.715463975016394

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: -17.715464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4913718659430786, total energy = -17.715463975016387

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: -17.715464
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.491371873021128, total energy = -17.715463975016377

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: -17.715464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.491371872345918, total energy = -17.71546397501638

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: -17.715464
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.491371858282946, total energy = -17.715463975016384

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: -17.715464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4913718663156033, total energy = -17.715463975016384

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: -17.715464
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4913718700408953, total energy = -17.71546397501639

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: -17.715464
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.491371854254976, total energy = -17.71546397501638

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: -17.715464
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4913718551397324, total energy = -17.715463975016387

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: -17.715464
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.491371880844235, total energy = -17.71546397501638

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: -17.715464
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.491371862590313, total energy = -17.715463975016394

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: -17.715464
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.491371862744564, total energy = -17.715463975016384

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: -17.715464
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4913718659430732, total energy = -17.715463975016387

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: -17.715464
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4913718711817623, total energy = -17.715463975016384

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: -17.715464
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4913718640804277, total energy = -17.71546397501638

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: -17.715464
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4913718551397324, total energy = -17.71546397501638

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: -17.715464
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4913718566065652, total energy = -17.715463975016387

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: -17.715464
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4913718605879684, total energy = -17.715463975016387

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: -17.715464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.491371852904557, total energy = -17.71546397501638

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: -17.715464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.491371859842909, total energy = -17.71546397501638

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: -17.715464
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4913718551397324, total energy = -17.71546397501638

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: -17.715464
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.491371867619451, total energy = -17.715463975016384

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: -17.715464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4913718700408927, total energy = -17.71546397501639

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: -17.715464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4913718618452565, total energy = -17.71546397501639

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: -17.715464
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.4913718677125845, total energy = -17.715463975016387

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: -17.715464
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4913718676543795, total energy = -17.715463975016384

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: -17.715464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4913718618452494, total energy = -17.715463975016384

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: -17.715464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4913718601688726, total energy = -17.715463975016387

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: -17.715464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4913718807889396, total energy = -17.715463975016377

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: -17.715464
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.491371853201414, total energy = -17.715463975016384

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 3.2547145819326477 = ([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 = 4.875 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 = [2.49137187] Angstroms and c = 3.458134243303438 = ([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 = 4.875 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 = [2.49137187] Angstroms and c = 3.6615539046742285 = ([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 = 4.875 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 = [2.49137187] Angstroms and c = 3.864973566045019 = ([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 = 4.875 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 = [2.49137187] Angstroms and c = 4.068393227415809 = ([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 = 4.875 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 = [2.49137187] Angstroms and c = 4.2718128887866 = ([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 = 4.875 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 = [2.49137187] Angstroms and c = 4.47523255015739 = ([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 = 4.875 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 = [2.49137187] Angstroms and c = 4.67865221152818 = ([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 = 4.875 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 = [2.49137187] Angstroms and c = 4.882071872898971 = ([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 = 4.875 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 = [2.49137187] Angstroms, c = [4.06839323] Angstroms, c/a = 1.632993

 Total energy: -17.715463975016394 eV

 Cohesive energy: -4.428865993754099 eV/atom

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