Element = Lattice = Model = Element: C
Lattice: hcp
Model: MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species C

==============================================================================
==============================================================================
 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: -0.233078
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 4.947368824109445, total energy = -0.23307833925860005

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: -0.233078
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.947368825040757, total energy = -0.23307833925860022

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: -0.233078
         Iterations: 44
         Function evaluations: 93
Results for this minimization:
  a = 4.947368821129203, total energy = -0.23307833925860008

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: -0.233078
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.947368824016319, total energy = -0.23307833925859983

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: -0.233078
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 4.947368823364386, total energy = -0.23307833925860014

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: -0.233078
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 4.94736881665886, total energy = -0.23307833925859966

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: -0.233078
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.947368825785816, total energy = -0.23307833925860005

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: -0.233078
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.947368821129203, total energy = -0.23307833925859991

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: -0.233078
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.94736882150174, total energy = -0.23307833925859994

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: -0.233078
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.947368819545956, total energy = -0.2330783392586002

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: -0.233078
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.9473688250407575, total energy = -0.23307833925860022

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: -0.233078
         Iterations: 42
         Function evaluations: 86
Results for this minimization:
  a = 4.9473688218626135, total energy = -0.23307833925860025

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: -0.233078
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.947368821129203, total energy = -0.23307833925860003

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: -0.233078
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 4.947368826193276, total energy = -0.23307833925859978

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: -0.233078
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.947368824400485, total energy = -0.2330783392586004

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: -0.233078
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.947368825040758, total energy = -0.23307833925860008

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: -0.233078
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.947368826717144, total energy = -0.23307833925859975

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: -0.233078
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.947368828579783, total energy = -0.23307833925859986

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: -0.233078
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.947368823923174, total energy = -0.23307833925859991

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: -0.233078
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.947368827555335, total energy = -0.23307833925860014

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: -0.233078
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 4.947368823830039, total energy = -0.23307833925859991

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: -0.233078
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 4.94736882427242, total energy = -0.23307833925860022

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: -0.233078
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.947368820779957, total energy = -0.23307833925859991

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: -0.233078
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 4.947368826356252, total energy = -0.23307833925859983

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: -0.233078
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 4.947368824481969, total energy = -0.23307833925860033

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: -0.233078
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.947368825040755, total energy = -0.23307833925860003

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: -0.233078
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.947368830628694, total energy = -0.23307833925859958

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: -0.233078
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.947368819266558, total energy = -0.2330783392585996

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: -0.233078
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 4.947368823364378, total energy = -0.23307833925860022

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: -0.233078
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.9473688222118675, total energy = -0.23307833925860005

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: -0.233078
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 4.947368827337049, total energy = -0.23307833925860036

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: -0.233078
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 4.947368820518022, total energy = -0.2330783392586002

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: -0.233078
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 4.947368826135062, total energy = -0.23307833925859986

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: -0.233078
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.947368826041927, total energy = -0.23307833925859983

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


Attempting to perform relaxation using initial lattice constant guess of a = [4.94736882] Angstroms and c = 6.463215567538271 = ([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 = 5.125 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 = [4.94736882] Angstroms and c = 6.867166540509413 = ([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 = 5.125 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 = [4.94736882] Angstroms and c = 7.271117513480555 = ([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 = 5.125 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 = [4.94736882] Angstroms and c = 7.675068486451697 = ([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 = 5.125 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 = [4.94736882] Angstroms and c = 8.079019459422838 = ([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 = 5.125 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 = [4.94736882] Angstroms and c = 8.48297043239398 = ([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 = 5.125 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 = [4.94736882] Angstroms and c = 8.886921405365122 = ([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 = 5.125 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 = [4.94736882] Angstroms and c = 9.290872378336264 = ([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 = 5.125 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 = [4.94736882] Angstroms and c = 9.694823351307406 = ([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 = 5.125 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 = [4.94736882] Angstroms, c = [8.07901946] Angstroms, c/a = 1.632993

 Total energy: -0.2330783392586004 eV

 Cohesive energy: -0.0582695848146501 eV/atom

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