Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_002
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ti

==============================================================================
==============================================================================
 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: -19.463702
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.90612575579435, total energy = -19.463702476117493

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: -19.463702
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9061257712543, total energy = -19.46370247611749

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: -19.463702
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9061257620342076, total energy = -19.4637024761175

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: -19.463702
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9061257485300365, total energy = -19.463702476117493

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: -19.463702
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.906125739961866, total energy = -19.46370247611749

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: -19.463702
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9061257764697093, total energy = -19.463702476117483

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: -19.463702
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9061257493216557, total energy = -19.463702476117493

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: -19.463702
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9061257410794497, total energy = -19.463702476117476

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: -19.463702
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.90612577646971, total energy = -19.463702476117486

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: -19.463702
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9061257539317022, total energy = -19.463702476117493

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: -19.463702
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9061257712543007, total energy = -19.463702476117493

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: -19.463702
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9061257638037192, total energy = -19.463702476117493

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: -19.463702
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9061257620342076, total energy = -19.46370247611749

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: -19.463702
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9061257735243995, total energy = -19.463702476117493

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: -19.463702
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.9061257485300303, total energy = -19.46370247611749

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: -19.463702
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.906125771254301, total energy = -19.463702476117497

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: -19.463702
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9061257712543003, total energy = -19.46370247611749

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: -19.463702
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.906125746667385, total energy = -19.463702476117483

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: -19.463702
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9061257668596223, total energy = -19.463702476117493

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: -19.463702
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9061257669585743, total energy = -19.4637024761175

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: -19.463702
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.906125749647618, total energy = -19.46370247611749

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: -19.463702
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9061257811263195, total energy = -19.463702476117483

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: -19.463702
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9061257711146027, total energy = -19.463702476117493

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: -19.463702
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9061257680878017, total energy = -19.463702476117486

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: -19.463702
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.9061257779598226, total energy = -19.463702476117476

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: -19.463702
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.90612575672567, total energy = -19.46370247611748

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: -19.463702
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.906125747598705, total energy = -19.463702476117483

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: -19.463702
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.906125760404393, total energy = -19.463702476117486

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: -19.463702
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9061257712542963, total energy = -19.46370247611749

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: -19.463702
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.906125759333371, total energy = -19.463702476117497

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: -19.463702
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.906125763803722, total energy = -19.463702476117493

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: -19.463702
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9061257631517923, total energy = -19.463702476117497

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: -19.463702
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9061257615685463, total energy = -19.46370247611749

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: -19.463702
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9061257711640742, total energy = -19.463702476117483

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.90612576] Angstroms and c = 3.796546797515061 = ([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 = [2.90612576] Angstroms and c = 4.033830972359752 = ([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 = [2.90612576] Angstroms and c = 4.271115147204442 = ([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 = [2.90612576] Angstroms and c = 4.508399322049134 = ([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 = [2.90612576] Angstroms and c = 4.745683496893825 = ([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 = [2.90612576] Angstroms and c = 4.982967671738516 = ([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 = [2.90612576] Angstroms and c = 5.220251846583206 = ([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 = [2.90612576] Angstroms and c = 5.457536021427898 = ([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 = [2.90612576] Angstroms and c = 5.694820196272589 = ([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 = [2.90612576] Angstroms, c = [4.7456835] Angstroms, c/a = 1.632993

 Total energy: -19.4637024761175 eV

 Cohesive energy: -4.865925619029375 eV/atom

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