Element = Lattice = Model = Element: P
Lattice: hcp
Model: MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_000
Computed model cutoff of 4.5000000042096095 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))

Optimization terminated successfully.
         Current function value: -8.899603
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7263340471312434, total energy = -8.899602991727486

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: -8.899603
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.72633404796943, total energy = -8.899602991727487

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: -8.899603
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7263340438366868, total energy = -8.899602991727484

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: -8.899603
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.726334048435097, total energy = -8.899602991727484

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: -8.899603
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.726334064453844, total energy = -8.899602991727484

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: -8.899603
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7263340586214335, total energy = -8.899602991727484

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: -8.899603
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.726334053277969, total energy = -8.899602991727484

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: -8.899603
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.7263340689241886, total energy = -8.89960299172748

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: -8.899603
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7263340532779714, total energy = -8.899602991727486

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: -8.899603
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7263340473175055, total energy = -8.899602991727486

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: -8.899603
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7263340483885257, total energy = -8.899602991727487

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: -8.899603
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.726334038376808, total energy = -8.899602991727484

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: -8.899603
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7263340447098017, total energy = -8.899602991727484

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: -8.899603
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.726334053277969, total energy = -8.899602991727487

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: -8.899603
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.7263340422883626, total energy = -8.89960299172749

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: -8.899603
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.726334052949096, total energy = -8.899602991727487

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: -8.899603
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.726334044337272, total energy = -8.899602991727484

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: -8.899603
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7263340423814952, total energy = -8.899602991727487

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: -8.899603
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7263340400066225, total energy = -8.899602991727486

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: -8.899603
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.726334050483999, total energy = -8.899602991727486

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: -8.899603
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.726334055885671, total energy = -8.899602991727487

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: -8.899603
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7263340459205194, total energy = -8.899602991727486

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: -8.899603
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7263340605422854, total energy = -8.899602991727484

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: -8.899603
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7263340448029294, total energy = -8.899602991727491

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: -8.899603
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7263340473175033, total energy = -8.899602991727486

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: -8.899603
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7263340508681737, total energy = -8.899602991727486

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: -1.782649
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 4.477190165116916, total energy = -1.7826489822641927

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: -8.899603
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7263340461067855, total energy = -8.899602991727487

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: -8.899603
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7263340488076167, total energy = -8.899602991727484

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: -8.899603
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.726334045454858, total energy = -8.899602991727486

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.72633404] Angstroms and c = 3.56166788167752 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.649921
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 3.3910534659068623, c = 3.029180914336768, total energy = -13.649920695143694

Attempting to perform relaxation using initial lattice constant guess of a = [2.72633404] Angstroms and c = 3.784272124282365 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.649921
         Iterations: 80
         Function evaluations: 160
Results for this minimization:
  a = 3.3910534517784803, c = 3.0291809043666342, total energy = -13.649920695143694

Attempting to perform relaxation using initial lattice constant guess of a = [2.72633404] Angstroms and c = 4.0068763668872105 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.649921
         Iterations: 80
         Function evaluations: 164
Results for this minimization:
  a = 3.3910534545141346, c = 3.0291809420553513, total energy = -13.649920695143692

Attempting to perform relaxation using initial lattice constant guess of a = [2.72633404] Angstroms and c = 4.229480609492056 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.900236
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.733484738475285, c = 4.429030379599885, total energy = -8.900235597574627

Attempting to perform relaxation using initial lattice constant guess of a = [2.72633404] Angstroms and c = 4.452084852096901 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.900236
         Iterations: 64
         Function evaluations: 138
Results for this minimization:
  a = 2.7334847436430576, c = 4.42903040259073, total energy = -8.900235597574628

Attempting to perform relaxation using initial lattice constant guess of a = [2.72633404] Angstroms and c = 4.674689094701746 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.900236
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.7334847370418234, c = 4.429030374270486, total energy = -8.900235597574627

Attempting to perform relaxation using initial lattice constant guess of a = [2.72633404] Angstroms and c = 4.897293337306591 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.649921
         Iterations: 85
         Function evaluations: 176
Results for this minimization:
  a = 3.391053461786802, c = 3.029180940441747, total energy = -13.649920695143695

Attempting to perform relaxation using initial lattice constant guess of a = [2.72633404] Angstroms and c = 5.119897579911436 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.649921
         Iterations: 80
         Function evaluations: 165
Results for this minimization:
  a = 3.3910534588946364, c = 3.02918092278256, total energy = -13.649920695143697

Attempting to perform relaxation using initial lattice constant guess of a = [2.72633404] Angstroms and c = 5.342501822516281 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.900236
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.7334847222867307, c = 4.429030410879152, total energy = -8.900235597574625

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

 Final lattice Constants:
   a = 3.3910534588946364 Angstroms, c = 3.02918092278256 Angstroms, c/a = 0.893286

 Total energy: -13.649920695143697 eV

 Cohesive energy: -3.4124801737859243 eV/atom

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