Element = Lattice = Model = Element: Tb
Lattice: hcp
Model: EAM_Dynamo_Mendelev_2018_Tb__MO_522239651961_000
Computed model cutoff of 8.399215662777456 Angstroms
Computed isolated atomic energy of 0.0 eV for species Tb

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -16.732311
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.573183646798133, total energy = -16.732310559963697

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: -16.732311
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5731837298953906, total energy = -16.732310559963643

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: -16.732311
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.5731836564838924, total energy = -16.732310559963658

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: -16.732311
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.5731835603714, total energy = -16.732310559963732

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: -16.732311
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5731835123151545, total energy = -16.73231055996357

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: -16.732311
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.57318364686798, total energy = -16.73231055996365

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: -16.732311
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 3.573183624073863, total energy = -16.732310559963658

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: -16.732311
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5731837301224023, total energy = -16.73231055996365

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: -16.732311
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.5731837194412983, total energy = -16.73231055996364

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: -16.732311
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.5731836712686347, total energy = -16.73231055996367

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: -16.732311
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.5731835603714, total energy = -16.73231055996372

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: -16.732311
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.5731836035847664, total energy = -16.73231055996371

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: -16.732311
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.573183707590215, total energy = -16.732310559963647

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: -16.732311
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.5731836866587416, total energy = -16.732310559963643

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: -16.732311
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.573183709383011, total energy = -16.732310559963633

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: -16.732311
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.573183630267158, total energy = -16.73231055996369

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: -16.732311
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.5731837302446365, total energy = -16.732310559963622

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: -16.732311
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.5731837691680983, total energy = -16.732310559963622

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: -16.732311
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.5731836467981344, total energy = -16.73231055996375

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: -16.732311
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.5731836928054697, total energy = -16.732310559963672

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: -16.732311
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.5731835603713975, total energy = -16.732310559963693

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: -16.732311
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.5731836277700495, total energy = -16.7323105599637

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: -16.732311
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.5731835123151527, total energy = -16.732310559963555

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: -16.732311
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.5731836268678303, total energy = -16.732310559963715

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: -16.732311
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.5731836236431262, total energy = -16.732310559963686

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: -16.732311
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.573183591890845, total energy = -16.732310559963707

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: -16.732311
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 3.573183624073863, total energy = -16.73231055996368

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: -16.732311
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.573183603584763, total energy = -16.732310559963665

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: -16.732311
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.573183730122399, total energy = -16.73231055996359

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: -16.732311
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.573183656981565, total energy = -16.73231055996373

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: -16.732311
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5731837071478347, total energy = -16.732310559963548

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: -16.732311
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 3.57318366135587, total energy = -16.732310559963693

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: -16.732311
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.5731836514547424, total energy = -16.732310559963686

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: -16.732311
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 3.5731836381251916, total energy = -16.732310559963594

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: -16.732311
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.5731835693120892, total energy = -16.73231055996371

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: -16.732311
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5731837048195274, total energy = -16.73231055996368

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: -16.732311
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.5731836035847664, total energy = -16.732310559963718

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.573183560371397, total energy = -16.73231055996368

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.573183688521381, total energy = -16.73231055996368

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.5731836264792887, total energy = -16.732310559963672

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.573183686658737, total energy = -16.73231055996364

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.573183676926419, total energy = -16.73231055996369

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.573183645657261, total energy = -16.7323105599637

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5731836465085456, total energy = -16.73231055996368

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5731836302671507, total energy = -16.73231055996368

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.573183691393929, total energy = -16.732310559963686

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5731837082421407, total energy = -16.732310559963697

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.573183750361209, total energy = -16.732310559963565

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.5731837691680877, total energy = -16.73231055996363

Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.573183736111961, total energy = -16.732310559963622

Attempting to perform relaxation using initial lattice constant guess of a = 8.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5731836542487114, total energy = -16.732310559963675

Attempting to perform relaxation using initial lattice constant guess of a = 8.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.5731837078928947, total energy = -16.73231055996362

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.5731836205814087, total energy = -16.732310559963683

Attempting to perform relaxation using initial lattice constant guess of a = 8.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.573183613270509, total energy = -16.732310559963732

Attempting to perform relaxation using initial lattice constant guess of a = 8.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.732311
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5731835603713904, total energy = -16.73231055996361

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.57318365] Angstroms and c = 4.667987569020065 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.763581
         Iterations: 70
         Function evaluations: 159
Results for this minimization:
  a = 3.6249632789844983, c = 5.657954697321131, total energy = -16.76358085903371

Attempting to perform relaxation using initial lattice constant guess of a = [3.57318365] Angstroms and c = 4.959736792083819 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.763581
         Iterations: 81
         Function evaluations: 169
Results for this minimization:
  a = 3.624963257456998, c = 5.65795483811899, total energy = -16.763580859033596

Attempting to perform relaxation using initial lattice constant guess of a = [3.57318365] Angstroms and c = 5.251486015147574 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.763581
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 3.62496330167414, c = 5.657954530848217, total energy = -16.76358085903374

Attempting to perform relaxation using initial lattice constant guess of a = [3.57318365] Angstroms and c = 5.543235238211328 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.763581
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 3.624963296787499, c = 5.657954672490952, total energy = -16.76358085903366

Attempting to perform relaxation using initial lattice constant guess of a = [3.57318365] Angstroms and c = 5.8349844612750825 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.763581
         Iterations: 70
         Function evaluations: 156
Results for this minimization:
  a = 3.624963223825156, c = 5.65795439219429, total energy = -16.763580859033578

Attempting to perform relaxation using initial lattice constant guess of a = [3.57318365] Angstroms and c = 6.126733684338837 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.763581
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 3.624963230703608, c = 5.657954386727692, total energy = -16.76358085903361

Attempting to perform relaxation using initial lattice constant guess of a = [3.57318365] Angstroms and c = 6.418482907402591 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.763581
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.6249631924265016, c = 5.657954787778491, total energy = -16.76358085903359

Attempting to perform relaxation using initial lattice constant guess of a = [3.57318365] Angstroms and c = 6.710232130466346 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.763581
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.6249632716628426, c = 5.65795460665202, total energy = -16.76358085903374

Attempting to perform relaxation using initial lattice constant guess of a = [3.57318365] Angstroms and c = 7.0019813535301 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.763581
         Iterations: 65
         Function evaluations: 146
Results for this minimization:
  a = 3.62496328127496, c = 5.65795453369734, total energy = -16.76358085903366

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

 Final lattice Constants:
   a = 3.62496330167414 Angstroms, c = 5.657954530848217 Angstroms, c/a = 1.560831

 Total energy: -16.76358085903374 eV

 Cohesive energy: -4.190895214758435 eV/atom

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