Element = Lattice = Model = Element: Sm
Lattice: hcp
Model: EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000
Computed model cutoff of 7.9992534364760335 Angstroms
Computed isolated atomic energy of 0.0 eV for species Sm

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

Optimization terminated successfully.
         Current function value: -19.260936
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.647406441048954, total energy = -19.260936020694206

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: -19.260936
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.647406452894211, total energy = -19.26093602069421

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: -19.260936
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.647406343370676, total energy = -19.260936020694146

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: -19.260936
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.647406440973286, total energy = -19.26093602069425

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: -19.260936
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.6474064469337475, total energy = -19.260936020694157

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: -19.260936
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.6474064366891987, total energy = -19.260936020694228

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: -19.260936
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.647406494617459, total energy = -19.260936020694203

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: -19.260936
         Iterations: 38
         Function evaluations: 86
Results for this minimization:
  a = 3.6474063326604664, total energy = -19.26093602069413

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: -19.260936
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.6474064528942125, total energy = -19.26093602069424

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: -19.260936
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.6474064391106404, total energy = -19.260936020694174

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: -19.260936
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.6474063698318795, total energy = -19.260936020694196

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: -19.260936
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.647406452894212, total energy = -19.260936020694235

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: -19.260936
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.6474064190406352, total energy = -19.260936020694224

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: -19.260936
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.647406440973282, total energy = -19.260936020694196

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: -19.260936
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.6474064987152817, total energy = -19.260936020694125

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: -19.260936
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.6474063433706765, total energy = -19.260936020694146

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: -19.260936
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.6474064767360685, total energy = -19.260936020694153

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: -19.260936
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.6474064788781106, total energy = -19.26093602069419

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: -19.260936
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.647406542114913, total energy = -19.26093602069407

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: -19.260936
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.6474064409732816, total energy = -19.26093602069418

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: -19.260936
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.6474064318434114, total energy = -19.260936020694224

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: -19.260936
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.6474064322886974, total energy = -19.26093602069418

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: -19.260936
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.647406277770642, total energy = -19.26093602069404

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: -19.260936
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.6474063281435503, total energy = -19.260936020694125

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: -19.260936
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.647406429797411, total energy = -19.26093602069421

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: -19.260936
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.6474064946174627, total energy = -19.26093602069415

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: -19.260936
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.6474064108188013, total energy = -19.260936020694146

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: -19.260936
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.647406406700611, total energy = -19.260936020694206

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: -19.260936
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.647406406700609, total energy = -19.26093602069418

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: -19.260936
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6474064450711, total energy = -19.2609360206942

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: -19.260936
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6474063846108056, total energy = -19.26093602069419

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: -19.260936
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.647406418621538, total energy = -19.260936020694174

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: -19.260936
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.6474064991343766, total energy = -19.260936020694185

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: -19.260936
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.6474064019625034, total energy = -19.26093602069417

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: -19.260936
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.647406291961669, total energy = -19.260936020694047

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: -19.260936
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.647406524419779, total energy = -19.260936020694103

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: -19.260936
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.64740649461746, total energy = -19.26093602069415

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: -19.260936
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.647406417876482, total energy = -19.26093602069416

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: -19.260936
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6474063907284258, total energy = -19.260936020694235

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: -19.260936
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6474064409732767, total energy = -19.26093602069419

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: -19.260936
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.6474063935689562, total energy = -19.260936020694178

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: -19.260936
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6474064433947175, total energy = -19.260936020694157

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: -19.260936
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6474064078647643, total energy = -19.26093602069418

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: -19.260936
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6474064528942094, total energy = -19.260936020694153

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 8.193750000000001, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 8.337500000000002, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 8.1125, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 8.25, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 8.00625, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 8.137500000000001, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 8.26875, total energy = 0.0

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: -0.000000
         Iterations: 52
         Function evaluations: 114
Results for this minimization:
  a = 7.999999999813727, total energy = -1.334839535405798e-10

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.64740644] Angstroms and c = 4.7649518212935265 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.309167
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 3.699852242881899, c = 5.6623316215096455, total energy = -19.309166527953938

Attempting to perform relaxation using initial lattice constant guess of a = [3.64740644] Angstroms and c = 5.062761310124372 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.309167
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 3.6998523129435967, c = 5.6623315499217615, total energy = -19.309166527953916

Attempting to perform relaxation using initial lattice constant guess of a = [3.64740644] Angstroms and c = 5.360570798955217 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.309167
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 3.6998522376048535, c = 5.662331662831804, total energy = -19.309166527953902

Attempting to perform relaxation using initial lattice constant guess of a = [3.64740644] Angstroms and c = 5.658380287786062 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.309167
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 3.699852253587819, c = 5.662331453125799, total energy = -19.3091665279539

Attempting to perform relaxation using initial lattice constant guess of a = [3.64740644] Angstroms and c = 5.956189776616907 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.309167
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 3.699852247185839, c = 5.662331283398788, total energy = -19.309166527953863

Attempting to perform relaxation using initial lattice constant guess of a = [3.64740644] Angstroms and c = 6.253999265447752 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.309167
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.6998522659477295, c = 5.662331355453933, total energy = -19.309166527953927

Attempting to perform relaxation using initial lattice constant guess of a = [3.64740644] Angstroms and c = 6.551808754278597 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.309167
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.699852245640294, c = 5.662331594686709, total energy = -19.309166527953924

Attempting to perform relaxation using initial lattice constant guess of a = [3.64740644] Angstroms and c = 6.849618243109442 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.309167
         Iterations: 70
         Function evaluations: 155
Results for this minimization:
  a = 3.6998522968985457, c = 5.6623314190088765, total energy = -19.309166527953888

Attempting to perform relaxation using initial lattice constant guess of a = [3.64740644] Angstroms and c = 7.1474277319402875 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.309167
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 3.6998522286291053, c = 5.662331631717089, total energy = -19.309166527953938

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

 Final lattice Constants:
   a = 3.699852242881899 Angstroms, c = 5.6623316215096455 Angstroms, c/a = 1.530421

 Total energy: -19.309166527953938 eV

 Cohesive energy: -4.827291631988484 eV/atom

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