Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_000
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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9061257570982018, total energy = -19.46370247610616

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 = -19.463702476106167

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: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.9061257655266672, total energy = -19.463702476106178

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 = 2.9061257685069055, total energy = -19.46370247610616

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: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9061257600085844, total energy = -19.46370247610617

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9061257449910065, total energy = -19.46370247610616

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: 84
Results for this minimization:
  a = 2.906125749647619, total energy = -19.46370247610616

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9061257620342076, total energy = -19.463702476106175

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 = 2.9061257541179684, total energy = -19.463702476106164

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9061257543275145, total energy = -19.46370247610617

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9061257711495267, total energy = -19.463702476106164

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: 77
Results for this minimization:
  a = 2.906125749647616, total energy = -19.463702476106164

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9061257620342076, total energy = -19.463702476106167

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 = 2.9061257757246493, total energy = -19.463702476106164

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: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9061257854104046, total energy = -19.463702476106146

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: 69
Results for this minimization:
  a = 2.9061257632216435, total energy = -19.463702476106167

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9061257620342076, total energy = -19.463702476106167

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: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.9061257634020876, total energy = -19.46370247610617

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: 73
Results for this minimization:
  a = 2.9061257664812725, total energy = -19.463702476106157

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: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9061257379624283, total energy = -19.463702476106153

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.906125749647618, total energy = -19.46370247610616

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.906125754117965, total energy = -19.46370247610615

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.906125770066865, total energy = -19.463702476106167

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: 75
Results for this minimization:
  a = 2.906125762313602, total energy = -19.463702476106157

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: 77
Results for this minimization:
  a = 2.906125761568545, total energy = -19.463702476106157

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: 76
Results for this minimization:
  a = 2.9061257689230855, total energy = -19.463702476106153

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9061257602646924, total energy = -19.46370247610616

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9061257620342076, total energy = -19.463702476106167

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: 79
Results for this minimization:
  a = 2.9061257712542963, total energy = -19.46370247610616

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: 79
Results for this minimization:
  a = 2.906125758687266, total energy = -19.463702476106164

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: 82
Results for this minimization:
  a = 2.9061257495370243, total energy = -19.46370247610616

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: 78
Results for this minimization:
  a = 2.906125737726686, total energy = -19.463702476106153

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: 78
Results for this minimization:
  a = 2.906125754583627, total energy = -19.463702476106164

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9061257598281323, total energy = -19.463702476106164

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.90612577] Angstroms and c = 3.796546802077591 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.468466
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 2.9219606359866717, c = 4.6933988941287526, total energy = -19.46846586108365

Attempting to perform relaxation using initial lattice constant guess of a = [2.90612577] Angstroms and c = 4.03383097720744 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.468466
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.921960631488177, c = 4.693398963807782, total energy = -19.468465861083654

Attempting to perform relaxation using initial lattice constant guess of a = [2.90612577] Angstroms and c = 4.2711151523372894 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.468466
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.921960659860975, c = 4.693398885940253, total energy = -19.468465861083644

Attempting to perform relaxation using initial lattice constant guess of a = [2.90612577] Angstroms and c = 4.508399327467139 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.468466
         Iterations: 67
         Function evaluations: 140
Results for this minimization:
  a = 2.9219606358176713, c = 4.693398970973221, total energy = -19.468465861083658

Attempting to perform relaxation using initial lattice constant guess of a = [2.90612577] Angstroms and c = 4.745683502596988 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.468466
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.921960628470706, c = 4.693398957394715, total energy = -19.46846586108365

Attempting to perform relaxation using initial lattice constant guess of a = [2.90612577] Angstroms and c = 4.982967677726837 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.468466
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.9219606443549466, c = 4.69339892539547, total energy = -19.468465861083658

Attempting to perform relaxation using initial lattice constant guess of a = [2.90612577] Angstroms and c = 5.220251852856686 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.468466
         Iterations: 80
         Function evaluations: 164
Results for this minimization:
  a = 2.92196064136842, c = 4.693398916775775, total energy = -19.468465861083658

Attempting to perform relaxation using initial lattice constant guess of a = [2.90612577] Angstroms and c = 5.457536027986535 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.468466
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.9219606489779197, c = 4.693398906541045, total energy = -19.46846586108365

Attempting to perform relaxation using initial lattice constant guess of a = [2.90612577] Angstroms and c = 5.694820203116384 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.468466
         Iterations: 68
         Function evaluations: 152
Results for this minimization:
  a = 2.921960640421097, c = 4.6933988775990985, total energy = -19.468465861083647

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

 Final lattice Constants:
   a = 2.9219606358176713 Angstroms, c = 4.693398970973221 Angstroms, c/a = 1.606250

 Total energy: -19.468465861083658 eV

 Cohesive energy: -4.8671164652709145 eV/atom

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