Element = Lattice = Model = Element: P
Lattice: hcp
Model: EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005
Computed model cutoff of 5.299504071697607 Angstroms
Computed isolated atomic energy of 0.0 eV for species P

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

Optimization terminated successfully.
         Current function value: -7.531044
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.3220577291212976, total energy = -7.531044026954312

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: -7.531044
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.3220577275380583, total energy = -7.531044026954311

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: -7.531044
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.3220577359199566, total energy = -7.531044026954304

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: -7.531044
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.3220577295869615, total energy = -7.53104402695431

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: -7.531044
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.322057707444765, total energy = -7.531044026954308

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: -7.531044
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.3220577363390476, total energy = -7.531044026954304

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: -7.531044
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.3220577135682143, total energy = -7.531044026954307

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: -7.531044
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.322057720227168, total energy = -7.531044026954307

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: -7.531044
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.322057713568211, total energy = -7.531044026954308

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: -7.531044
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.3220577366882917, total energy = -7.5310440269543015

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: -7.531044
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.3220577291212976, total energy = -7.531044026954306

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: -7.531044
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.322057721950115, total energy = -7.531044026954304

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: -7.531044
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.3220577190862985, total energy = -7.531044026954305

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: -7.531044
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.3220577295869598, total energy = -7.531044026954306

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: -7.531044
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.322057735919953, total energy = -7.5310440269543015

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: -7.531044
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.322057719924487, total energy = -7.531044026954304

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: -7.531044
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.322057722322642, total energy = -7.531044026954306

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: -7.531044
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.322057721531018, total energy = -7.531044026954303

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: -7.531044
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.322057728469372, total energy = -7.531044026954304

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: -7.531044
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.322057720413431, total energy = -7.531044026954307

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: -7.531044
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.322057720972225, total energy = -7.531044026954304

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: -7.531044
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.3220577207423023, total energy = -7.531044026954305

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: -7.531044
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.322057728469371, total energy = -7.531044026954305

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: -7.531044
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.322057727634093, total energy = -7.531044026954307

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: -7.531044
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.322057714685795, total energy = -7.531044026954302

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: -7.531044
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.32205771363806, total energy = -7.531044026954305

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: -7.531044
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.3220577150350405, total energy = -7.531044026954304

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: -7.531044
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.322057713009416, total energy = -7.531044026954304

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: -7.531044
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.3220577212050566, total energy = -7.531044026954306

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: -7.531044
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.322057728376237, total energy = -7.531044026954303

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: -7.531044
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.322057727491483, total energy = -7.531044026954304

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: -7.531044
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.3220577300060508, total energy = -7.531044026954304

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: -7.531044
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.322057720116571, total energy = -7.531044026954302

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: -7.531044
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.322057719744044, total energy = -7.531044026954305

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.32205773] Angstroms and c = 4.339918043955305 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.531044
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 3.3220577216385214, c = 5.424897550099237, total energy = -7.531044026954307

Attempting to perform relaxation using initial lattice constant guess of a = [3.32205773] Angstroms and c = 4.611162921702512 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.531044
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.322057731832734, c = 5.424897519972358, total energy = -7.531044026954307

Attempting to perform relaxation using initial lattice constant guess of a = [3.32205773] Angstroms and c = 4.882407799449719 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.531044
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.322057718360697, c = 5.424897541068473, total energy = -7.531044026954305

Attempting to perform relaxation using initial lattice constant guess of a = [3.32205773] Angstroms and c = 5.153652677196925 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.531044
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 3.3220577140406315, c = 5.424897545071131, total energy = -7.531044026954305

Attempting to perform relaxation using initial lattice constant guess of a = [3.32205773] Angstroms and c = 5.424897554944132 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.531044
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 3.3220577306384262, c = 5.424897532858093, total energy = -7.5310440269543095

Attempting to perform relaxation using initial lattice constant guess of a = [3.32205773] Angstroms and c = 5.696142432691339 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.531044
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.3220577099839517, c = 5.424897589079069, total energy = -7.531044026954301

Attempting to perform relaxation using initial lattice constant guess of a = [3.32205773] Angstroms and c = 5.9673873104385455 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.531044
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 3.3220577252516645, c = 5.424897510489842, total energy = -7.531044026954303

Attempting to perform relaxation using initial lattice constant guess of a = [3.32205773] Angstroms and c = 6.238632188185752 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.531044
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 3.322057717037928, c = 5.42489756065174, total energy = -7.531044026954305

Attempting to perform relaxation using initial lattice constant guess of a = [3.32205773] Angstroms and c = 6.509877065932959 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.531044
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 3.322057729151496, c = 5.424897524181108, total energy = -7.531044026954304

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

 Final lattice Constants:
   a = [3.32205773] Angstroms, c = [5.42489755] Angstroms, c/a = 1.632993

 Total energy: -7.531044026954312 eV

 Cohesive energy: -1.882761006738578 eV/atom

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