Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_001
Computed model cutoff of 5.499999915808449 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: -19.315989
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9093647276982715, total energy = -19.315989131979183

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: -19.315989
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.9093647536355993, total energy = -19.315989131979137

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: -8.131494
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.062050087377429, total energy = -8.131494270008535

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: -19.315989
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9093647445784954, total energy = -19.315989131979162

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: -8.131494
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.062050087098033, total energy = -8.131494270008545

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: -8.131494
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.062050080299379, total energy = -8.131494270008538

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: -8.131494
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.062050084606744, total energy = -8.131494270008584

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: -8.131494
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.0620500985533, total energy = -8.131494270008538

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: -8.131494
         Iterations: 31
         Function evaluations: 65
Results for this minimization:
  a = 2.0620500803925097, total energy = -8.131494270008526

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: -8.131494
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.0620500833261763, total energy = -8.131494270008536

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: -19.315989
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.9093647532165052, total energy = -19.315989131979133

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: -19.315989
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.909364729747175, total energy = -19.315989131979155

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: -19.315989
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9093647450208664, total energy = -19.315989131979148

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: -19.315989
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9093646927271033, total energy = -19.315989131979137

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: -19.315989
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.909364733565599, total energy = -19.315989131979155

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: -19.315989
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9093647271394736, total energy = -19.315989131979162

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: -19.315989
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.909364717453718, total energy = -19.315989131979137

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: -19.315989
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.909364732913673, total energy = -19.31598913197914

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: -19.315989
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.9093647170811883, total energy = -19.315989131979148

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: -19.315989
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9093646866327605, total energy = -19.31598913197911

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: -19.315989
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9093647047877305, total energy = -19.31598913197914

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: -19.315989
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.909364752657711, total energy = -19.31598913197912

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: -19.315989
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9093647417612374, total energy = -19.315989131979155

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: -19.315989
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9093647247180314, total energy = -19.315989131979148

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: -19.315989
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9093647450208655, total energy = -19.31598913197916

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: -19.315989
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9093647156376403, total energy = -19.315989131979148

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: -19.315989
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9093647478264733, total energy = -19.315989131979144

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: -19.315989
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9093647046247497, total energy = -19.31598913197915

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: -19.315989
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9093647188506973, total energy = -19.315989131979144

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: -19.315989
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.909364677849225, total energy = -19.315989131979084

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: -19.315989
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9093647315166904, total energy = -19.31598913197916

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: -19.315989
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9093647055793523, total energy = -19.315989131979162

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: -19.315989
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.909364743216429, total energy = -19.315989131979165

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: -19.315989
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9093647126574025, total energy = -19.315989131979133

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: -19.315989
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.909364707639905, total energy = -19.31598913197916

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: -19.315989
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9093647046247506, total energy = -19.31598913197914

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.775, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 3.8007781645397816 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 85
         Function evaluations: 174
Results for this minimization:
  a = 2.930493746346369, c = 4.678286052101847, total energy = -19.324735109678052

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 4.038326799823518 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.930493721335888, c = 4.678286048824608, total energy = -19.324735109678052

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 4.275875435107254 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.9304937457848226, c = 4.678286081066981, total energy = -19.324735109678073

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 4.513424070390991 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.930493695591817, c = 4.678286084894319, total energy = -19.32473510967805

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 4.750972705674728 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.9304937131936604, c = 4.678286136697497, total energy = -19.32473510967805

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 4.988521340958465 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 2.930493705968173, c = 4.678286034422035, total energy = -19.324735109678052

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 5.226069976242201 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.9304937151775263, c = 4.678286063167473, total energy = -19.324735109678052

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 5.463618611525938 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.930493707770544, c = 4.6782861099165025, total energy = -19.324735109678063

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 5.701167246809675 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.93049370119122, c = 4.678286115488337, total energy = -19.32473510967806

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

 Final lattice Constants:
   a = 2.9304937457848226 Angstroms, c = 4.678286081066981 Angstroms, c/a = 1.596416

 Total energy: -19.324735109678073 eV

 Cohesive energy: -4.831183777419518 eV/atom

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