Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_000
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: 70
Results for this minimization:
  a = 3.0518020452931527, total energy = -31.44766319120092

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 = 3.0518020307645215, total energy = -31.447663191200927

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: 32
         Function evaluations: 67
Results for this minimization:
  a = 3.0518020450836048, total energy = -31.447663191200927

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.0518020399380474, 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: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.0518020378192876, total energy = -31.44766319120092

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: 73
Results for this minimization:
  a = 3.0518020331859583, total energy = -31.44766319120092

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 = -31.447663191200924

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.0518020461313426, total energy = -31.447663191200927

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0518020455725465, total energy = -31.447663191200917

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: 77
Results for this minimization:
  a = 3.051802045572549, 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: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.0518020398449153, total energy = -31.447663191200927

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.0518020503164713, 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: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.051802027155645, total energy = -31.447663191200913

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 = 3.0518020413815945, total energy = -31.447663191200927

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.051802039262837, total energy = -31.447663191200917

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.0518020311719756, total energy = -31.44766319120093

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: 83
Results for this minimization:
  a = 3.0518020423594843, total energy = -31.44766319120092

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: 81
Results for this minimization:
  a = 3.0518020398449153, total energy = -31.44766319120093

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: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.0518020462710362, total energy = -31.44766319120092

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: 77
Results for this minimization:
  a = 3.0518020435556528, total energy = -31.447663191200924

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: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.0518020462594007, total energy = -31.447663191200924

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 = 3.0518020403571393, total energy = -31.447663191200927

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 = 3.986857488766776 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 76
         Function evaluations: 166
Results for this minimization:
  a = 3.137780736246289, c = 4.4557153112786345, total energy = -32.010792556089044

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 4.236036081814699 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 3.1377807326818123, c = 4.455715307127557, total energy = -32.010792556089044

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 4.485214674862623 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 3.1377807289112662, c = 4.455715316633521, total energy = -32.01079255608904

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 4.734393267910546 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 76
         Function evaluations: 163
Results for this minimization:
  a = 3.137780728912558, c = 4.455715315101255, total energy = -32.01079255608904

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 4.983571860958469 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 3.1377807235576896, c = 4.455715285784931, total energy = -32.01079255608904

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 5.232750454006393 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 74
         Function evaluations: 150
Results for this minimization:
  a = 3.1377807188124294, c = 4.45571529177014, total energy = -32.010792556089044

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 5.481929047054316 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 82
         Function evaluations: 169
Results for this minimization:
  a = 3.1377807247829814, c = 4.455715308434105, total energy = -32.01079255608904

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 5.731107640102239 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 85
         Function evaluations: 179
Results for this minimization:
  a = 3.1377807302848097, c = 4.455715301093252, total energy = -32.01079255608904

Attempting to perform relaxation using initial lattice constant guess of a = [3.05180204] Angstroms and c = 5.980286233150163 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.010793
         Iterations: 76
         Function evaluations: 166
Results for this minimization:
  a = 3.1377807227764167, c = 4.455715289776483, total energy = -32.010792556089044

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

 Final lattice Constants:
   a = 3.137780736246289 Angstroms, c = 4.4557153112786345 Angstroms, c/a = 1.420021

 Total energy: -32.010792556089044 eV

 Cohesive energy: -8.002698139022261 eV/atom

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