Element = Lattice = Model = Element: In
Lattice: hcp
Model: MEAM_LAMMPS_DoShinLee_2008_In__MO_439532348190_001
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species In

==============================================================================
==============================================================================
 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: -10.010934
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.329528290033346, total energy = -10.010933755209079

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: -10.010934
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.3295282758772355, total energy = -10.010933755209077

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: -10.010934
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.3295282869949006, total energy = -10.01093375520908

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: -10.010934
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.329528291895994, total energy = -10.010933755209079

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: -10.010934
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.329528286913414, total energy = -10.010933755209079

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: -10.010934
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.3295282988227, total energy = -10.01093375520908

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: -10.010934
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.3295282766222947, total energy = -10.010933755209074

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: -10.010934
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.3295282926410437, total energy = -10.010933755209079

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: -10.010934
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.329528295993809, total energy = -10.010933755209077

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: -10.010934
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.3295282784849425, total energy = -10.010933755209079

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: -10.010934
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.32952828258276, total energy = -10.010933755209077

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: -10.010934
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.3295282894396205, total energy = -10.01093375520908

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: -10.010934
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.329528285190463, total energy = -10.010933755209079

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: -10.010934
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.3295282831415545, total energy = -10.010933755209079

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: -10.010934
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.3295282957376933, total energy = -10.010933755209079

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: -10.010934
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.329528291430325, total energy = -10.01093375520908

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: -10.010934
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.329528291523457, total energy = -10.010933755209079

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: -10.010934
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.3295282907783985, total energy = -10.010933755209079

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: -10.010934
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.3295282953418788, total energy = -10.010933755209079

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: -10.010934
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.329528283001855, total energy = -10.010933755209077

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: -10.010934
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.3295282850973305, total energy = -10.010933755209079

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: -10.010934
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.3295282947830853, total energy = -10.01093375520908

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: -10.010934
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.3295282926410437, total energy = -10.010933755209079

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: -10.010934
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.3295282854698587, total energy = -10.010933755209079

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: -10.010934
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.3295282974839213, total energy = -10.010933755209079

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: -10.010934
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.3295282959938053, total energy = -10.010933755209077

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: -10.010934
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.3295282911509254, total energy = -10.010933755209079

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: -10.010934
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.329528287053108, total energy = -10.010933755209082

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: -10.010934
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.3295282962033492, total energy = -10.010933755209079

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: -10.010934
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.329528284398838, total energy = -10.010933755209079

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952829] Angstroms and c = 4.349677539969618 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952829] Angstroms and c = 4.621532386217719 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952829] Angstroms and c = 4.8933872324658205 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952829] Angstroms and c = 5.165242078713922 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952829] Angstroms and c = 5.437096924962023 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952829] Angstroms and c = 5.708951771210124 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952829] Angstroms and c = 5.980806617458225 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952829] Angstroms and c = 6.2526614637063265 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952829] Angstroms and c = 6.524516309954428 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [3.32952829] Angstroms, c = [5.43709692] Angstroms, c/a = 1.632993

 Total energy: -10.010933755209082 eV

 Cohesive energy: -2.5027334388022706 eV/atom

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