Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_001
Computed model cutoff of 6.200000001229384 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ta

==============================================================================
==============================================================================
 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: -31.447663
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.051802051067357, total energy = -31.447663191200913

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: -31.447663
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.051802043057978, total energy = -31.44766319120092

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: -31.447663
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.051802038680762, total energy = -31.447663191200924

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: -31.447663
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.0518020434305146, total energy = -31.447663191200927

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: -31.447663
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0518020346760797, total energy = -31.44766319120092

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: -31.447663
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.0518020366085707, total energy = -31.44766319120092

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: -31.447663
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.051802044920623, total energy = -31.44766319120092

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: -31.447663
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.0518020363524556, total energy = -31.447663191200924

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: -31.447663
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.0518020389601617, total energy = -31.44766319120093

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: -31.447663
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.0518020393326886, total energy = -31.447663191200924

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: -31.447663
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.051802048087121, total energy = -31.447663191200917

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: -31.447663
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.0518020451068866, total energy = -31.44766319120092

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: -31.447663
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.051802053116262, total energy = -31.447663191200913

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: -31.447663
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.051802043005593, total energy = -31.447663191200924

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: -31.447663
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.0518020475283265, total energy = -31.447663191200917

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: -31.447663
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.051802045560908, total energy = -31.447663191200927

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: -31.447663
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.051802030135878, total energy = -31.447663191200913

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: -31.447663
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.0518020427552983, total energy = -31.447663191200924

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: -31.447663
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.051802038727328, total energy = -31.44766319120092

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: -31.447663
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.051802032161503, total energy = -31.447663191200924

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: -31.447663
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.051802041009068, total energy = -31.447663191200924

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: -31.447663
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.051802040246548, total energy = -31.447663191200917

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: -31.447663
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.051802041591145, total energy = -31.44766319120093

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: -31.447663
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.051802060008047, total energy = -31.44766319120091

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: -31.447663
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0518020391464233, total energy = -31.447663191200924

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: -31.447663
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.051802041381598, total energy = -31.447663191200935

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: -31.447663
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.051802048832176, total energy = -31.44766319120092

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: -31.447663
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.0518020279705524, total energy = -31.447663191200917

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: -31.447663
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.0518020414863685, total energy = -31.447663191200924

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: -31.447663
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.05180203495547, total energy = -31.44766319120092

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: -31.447663
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0518020308401916, total energy = -31.447663191200924

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: -31.447663
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 3.0518020369112473, total energy = -31.447663191200924

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: -31.447663
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.0518020391464233, total energy = -31.447663191200927

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: -31.447663
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.0518020424526133, total energy = -31.447663191200927

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: -31.447663
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.0518020436167705, total energy = -31.44766319120092

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: -31.447663
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.0518020257353795, total energy = -31.44766319120091

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: -31.447663
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.0518020393967134, total energy = -31.447663191200924

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 6.46875, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 6.325000000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 6.4625, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 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 = 6.300000000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 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 = 6.43125, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 6.25, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 3.9868574919301274 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 82
         Function evaluations: 170
Results for this minimization:
  a = 3.1377807238509243, c = 4.455715304597035, total energy = -32.010792556089044

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 4.23603608517576 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 3.137780735646453, c = 4.455715327338021, total energy = -32.01079255608904

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 4.485214678421393 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 3.1377807353044522, c = 4.455715313977418, total energy = -32.010792556089044

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 4.734393271667026 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 76
         Function evaluations: 165
Results for this minimization:
  a = 3.1377807131072055, c = 4.45571528289399, total energy = -32.01079255608904

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 4.983571864912658 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 79
         Function evaluations: 166
Results for this minimization:
  a = 3.1377807263090625, c = 4.455715305986491, total energy = -32.010792556089044

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 5.232750458158291 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 3.137780733988479, c = 4.455715310883829, total energy = -32.01079255608904

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 5.481929051403924 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 82
         Function evaluations: 168
Results for this minimization:
  a = 3.137780724361968, c = 4.455715287807406, total energy = -32.01079255608904

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 5.731107644649557 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 94
         Function evaluations: 193
Results for this minimization:
  a = 3.137780720091738, c = 4.455715302068814, total energy = -32.01079255608904

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 5.980286237895189 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.1377807266815827, c = 4.45571530822966, total energy = -32.010792556089044

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

 Final lattice Constants:
   a = 3.1377807238509243 Angstroms, c = 4.455715304597035 Angstroms, c/a = 1.420021

 Total energy: -32.010792556089044 eV

 Cohesive energy: -8.002698139022261 eV/atom

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