Element = Lattice = Model = Element: Cr
Lattice: hcp
Model: MEAM_LAMMPS_LeeBaskesKim_2001_Cr__MO_134550636109_000
Computed model cutoff of 3.5999999965727416 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cr

==============================================================================
==============================================================================
 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: -16.235712
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5853868022561106, total energy = -16.235711968399098

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: -16.235712
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5853867981582885, total energy = -16.235711968399098

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: -16.235712
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5853868052363396, total energy = -16.2357119683991

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: -16.235712
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5853868111968095, total energy = -16.235711968399098

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: -16.235712
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5853868048638136, total energy = -16.2357119683991

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: -16.235712
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.585386801511051, total energy = -16.2357119683991

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: -16.235712
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5853868030011657, total energy = -16.2357119683991

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: -16.235712
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.585386812337674, total energy = -16.2357119683991

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: -16.235712
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.585386803746225, total energy = -16.2357119683991

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: -16.235712
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5853868044912818, total energy = -16.2357119683991

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: -16.235712
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5853867948055274, total energy = -16.235711968399094

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: -16.235712
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.585386814782395, total energy = -16.2357119683991

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: -16.235712
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5853868052363396, total energy = -16.2357119683991

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: -16.235712
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5853868038160726, total energy = -16.235711968399105

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: -16.235712
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5853868030011657, total energy = -16.2357119683991

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: -16.235712
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.585386815667152, total energy = -16.235711968399098

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: -16.235712
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.585386795923113, total energy = -16.235711968399098

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: -16.235712
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5853868084959686, total energy = -16.235711968399098

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: -16.235712
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.585386811196803, total energy = -16.2357119683991

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: -16.235712
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5853867989964776, total energy = -16.2357119683991

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: -16.235712
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.585386803001164, total energy = -16.2357119683991

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: -16.235712
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5853867965983204, total energy = -16.235711968399098

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.5853868] Angstroms and c = 3.377535177106376 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.243925
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.6120940525786445, c = 4.136708484094156, total energy = -16.243924681096516

Attempting to perform relaxation using initial lattice constant guess of a = [2.5853868] Angstroms and c = 3.5886311256755246 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.243925
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.6120940300034823, c = 4.136708532008542, total energy = -16.243924681096512

Attempting to perform relaxation using initial lattice constant guess of a = [2.5853868] Angstroms and c = 3.799727074244673 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.243925
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.612094038382803, c = 4.136708501901649, total energy = -16.243924681096512

Attempting to perform relaxation using initial lattice constant guess of a = [2.5853868] Angstroms and c = 4.010823022813821 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.243925
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 2.612094048483627, c = 4.1367084781576, total energy = -16.243924681096512

Attempting to perform relaxation using initial lattice constant guess of a = [2.5853868] Angstroms and c = 4.221918971382969 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.243925
         Iterations: 64
         Function evaluations: 142
Results for this minimization:
  a = 2.612094025584556, c = 4.1367085611231165, total energy = -16.243924681096505

Attempting to perform relaxation using initial lattice constant guess of a = [2.5853868] Angstroms and c = 4.433014919952118 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.243925
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.6120940534214254, c = 4.1367084785539445, total energy = -16.24392468109651

Attempting to perform relaxation using initial lattice constant guess of a = [2.5853868] Angstroms and c = 4.644110868521267 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.243925
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.6120940395625314, c = 4.136708508690233, total energy = -16.243924681096516

Attempting to perform relaxation using initial lattice constant guess of a = [2.5853868] Angstroms and c = 4.855206817090415 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.243925
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.6120940415156255, c = 4.136708510802782, total energy = -16.243924681096512

Attempting to perform relaxation using initial lattice constant guess of a = [2.5853868] Angstroms and c = 5.066302765659563 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.243925
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.6120940682637617, c = 4.136708485453294, total energy = -16.2439246810965

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

 Final lattice Constants:
   a = 2.6120940525786445 Angstroms, c = 4.136708484094156 Angstroms, c/a = 1.583675

 Total energy: -16.243924681096516 eV

 Cohesive energy: -4.060981170274129 eV/atom

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