Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_001
Computed model cutoff of 4.999999989494702 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: -19.328346
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.91048395019025, total energy = -19.328345703764846

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: -19.328346
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9104839501902457, total energy = -19.328345703764843

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: -19.328346
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9104839402716607, total energy = -19.328345703764843

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: -19.328346
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9104839412495567, total energy = -19.328345703764846

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: -19.328346
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.910483952984216, total energy = -19.328345703764832

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: -19.328346
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9104839375242606, total energy = -19.328345703764846

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: -19.328346
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.91048393752426, total energy = -19.328345703764843

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: -19.328346
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.9104839402716607, total energy = -19.328345703764846

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: -19.328346
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9104839442297843, total energy = -19.328345703764843

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: -19.328346
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.910483951447533, total energy = -19.328345703764846

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: -19.328346
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.910483956895769, total energy = -19.32834570376484

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: -19.328346
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9104839254170645, total energy = -19.328345703764832

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: -19.328346
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9104839293286204, total energy = -19.328345703764843

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: -19.328346
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.9104839479550724, total energy = -19.328345703764843

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: -19.328346
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.9104839269071827, total energy = -19.328345703764835

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: -19.328346
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9104839439096404, total energy = -19.328345703764843

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: -19.328346
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.910483965836465, total energy = -19.328345703764846

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: -19.328346
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9104839405044913, total energy = -19.32834570376484

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: -19.328346
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.910483951447531, total energy = -19.328345703764843

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: -19.328346
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9104839405510563, total energy = -19.328345703764853

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: -19.328346
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9104839323088534, total energy = -19.32834570376484

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: -19.328346
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.910483963345176, total energy = -19.328345703764835

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: -19.328346
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.9104839402716607, total energy = -19.32834570376485

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: -19.328346
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.910483926348386, total energy = -19.328345703764846

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: -19.328346
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.91048393305391, total energy = -19.328345703764843

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: -19.328346
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9104839349107365, total energy = -19.328345703764835

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: -19.328346
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.910483942739663, total energy = -19.328345703764835

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: -19.328346
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9104839536594227, total energy = -19.32834570376484

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: -19.328346
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.910483941808339, total energy = -19.32834570376484

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: -19.328346
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9104839532781615, total energy = -19.328345703764843

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: -19.328346
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9104839360341446, total energy = -19.32834570376484

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: -19.328346
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9104839278385013, total energy = -19.328345703764832

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: -19.328346
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.9104839293286204, total energy = -19.328345703764843

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.91048394] Angstroms and c = 3.8022402980879884 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.329295
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.9172681232088618, c = 4.730613893587723, total energy = -19.329294910213193

Attempting to perform relaxation using initial lattice constant guess of a = [2.91048394] Angstroms and c = 4.039880316718488 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.329295
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.9172681236410156, c = 4.730613919419131, total energy = -19.329294910213196

Attempting to perform relaxation using initial lattice constant guess of a = [2.91048394] Angstroms and c = 4.277520335348988 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.329295
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.917268109457234, c = 4.730613960871797, total energy = -19.3292949102132

Attempting to perform relaxation using initial lattice constant guess of a = [2.91048394] Angstroms and c = 4.515160353979487 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.329295
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.917268104271436, c = 4.730613996581484, total energy = -19.329294910213196

Attempting to perform relaxation using initial lattice constant guess of a = [2.91048394] Angstroms and c = 4.752800372609987 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.329295
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.9172681122162727, c = 4.730613929861464, total energy = -19.3292949102132

Attempting to perform relaxation using initial lattice constant guess of a = [2.91048394] Angstroms and c = 4.990440391240487 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.329295
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.9172681175823536, c = 4.730613912183315, total energy = -19.3292949102132

Attempting to perform relaxation using initial lattice constant guess of a = [2.91048394] Angstroms and c = 5.228080409870986 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.329295
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.9172681187283036, c = 4.730613928600346, total energy = -19.329294910213203

Attempting to perform relaxation using initial lattice constant guess of a = [2.91048394] Angstroms and c = 5.465720428501486 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.329295
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.91726811585598, c = 4.730613998653631, total energy = -19.329294910213196

Attempting to perform relaxation using initial lattice constant guess of a = [2.91048394] Angstroms and c = 5.703360447131986 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.329295
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.9172681122976374, c = 4.730613939897357, total energy = -19.329294910213207

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

 Final lattice Constants:
   a = 2.9172681122976374 Angstroms, c = 4.730613939897357 Angstroms, c/a = 1.621590

 Total energy: -19.329294910213207 eV

 Cohesive energy: -4.832323727553302 eV/atom

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