Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_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: -14.142029
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5550155624747317, total energy = -14.14202886776069

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: -14.142029
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.555015548272058, total energy = -14.142028867760699

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: -14.142029
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5550155639648438, total energy = -14.142028867760695

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: -14.142029
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5550155456177936, total energy = -14.142028867760693

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: -14.142029
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5550155296921755, total energy = -14.142028867760695

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: -14.142029
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5550155486213058, total energy = -14.1420288677607

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: -14.142029
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5550155454315258, total energy = -14.1420288677607

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: -14.142029
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.555015556514263, total energy = -14.142028867760693

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: -14.142029
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.555015563964846, total energy = -14.142028867760695

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: -14.142029
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5550155472010383, total energy = -14.142028867760697

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: -14.142029
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.555015558749437, total energy = -14.142028867760692

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: -14.142029
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.555015535186976, total energy = -14.142028867760695

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: -14.142029
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5550155641976744, total energy = -14.142028867760693

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: -14.142029
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.5550155408680446, total energy = -14.142028867760695

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: -14.142029
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.555015543568879, total energy = -14.142028867760704

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: -14.142029
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5550155594013617, total energy = -14.142028867760693

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: -14.142029
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5550155431032175, total energy = -14.142028867760699

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: -14.142029
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5550155437667854, total energy = -14.142028867760699

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: -14.142029
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.5550155431730666, total energy = -14.142028867760693

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: -14.142029
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5550155419856306, total energy = -14.142028867760695

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: -14.142029
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.555015535652637, total energy = -14.142028867760695

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: -14.142029
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5550155445933314, total energy = -14.142028867760699

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: -14.142029
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.555015536956489, total energy = -14.14202886776069

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: -14.142029
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5550155416945897, total energy = -14.1420288677607

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: -14.142029
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5550155639648433, total energy = -14.142028867760692

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: -14.142029
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.555015560984613, total energy = -14.14202886776069

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: -14.142029
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.555015540868041, total energy = -14.142028867760693

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: -14.142029
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5550155434248154, total energy = -14.142028867760695

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: -14.142029
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.55501555204391, total energy = -14.142028867760695

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: -14.142029
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.555015535544952, total energy = -14.1420288677607

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: -14.142029
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5550155475735683, total energy = -14.142028867760695

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: -14.142029
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.55501555134542, total energy = -14.1420288677607

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: -14.142029
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.555015554302372, total energy = -14.142028867760699

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: -14.142029
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5550155419274176, total energy = -14.142028867760697

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55501554] Angstroms and c = 3.337858328865896 = ([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 = [2.55501554] Angstroms and c = 3.5464744744200147 = ([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 = [2.55501554] Angstroms and c = 3.7550906199741334 = ([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 = [2.55501554] Angstroms and c = 3.963706765528252 = ([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 = [2.55501554] Angstroms and c = 4.172322911082371 = ([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 = [2.55501554] Angstroms and c = 4.380939056636489 = ([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 = [2.55501554] Angstroms and c = 4.589555202190608 = ([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 = [2.55501554] Angstroms and c = 4.798171347744727 = ([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 = [2.55501554] Angstroms and c = 5.006787493298845 = ([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 = [2.55501554] Angstroms, c = [4.17232291] Angstroms, c/a = 1.632993

 Total energy: -14.142028867760704 eV

 Cohesive energy: -3.535507216940176 eV/atom

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