Element = Lattice = Model = Element: Mo
Lattice: hcp
Model: MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_001
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mo

==============================================================================
==============================================================================
 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: -26.749947
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.810415151715283, total energy = -26.74994650958789

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: -26.749947
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.810415162413847, total energy = -26.7499465095879

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: -26.749947
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8104151487350464, total energy = -26.74994650958789

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: -26.749947
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.810415154322988, total energy = -26.749946509587897

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: -26.749947
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8104151679668603, total energy = -26.749946509587893

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: -26.749947
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.810415156162346, total energy = -26.749946509587907

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: -26.749947
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.810415158956313, total energy = -26.74994650958789

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: -26.749947
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.810415168874897, total energy = -26.749946509587893

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: -26.749947
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8104151740670225, total energy = -26.74994650958789

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: -26.749947
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.8104151601204665, total energy = -26.7499465095879

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: -26.749947
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8104151726292925, total energy = -26.74994650958789

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: -26.749947
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8104151472449295, total energy = -26.749946509587893

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: -26.749947
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.8104151487350464, total energy = -26.749946509587893

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: -26.749947
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.810415165557061, total energy = -26.74994650958789

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: -26.749947
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8104151602135974, total energy = -26.74994650958789

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: -26.749947
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8104151698498745, total energy = -26.74994650958789

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: -26.749947
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8104151681065552, total energy = -26.749946509587886

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: -26.749947
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.810415149288019, total energy = -26.74994650958789

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: -26.749947
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8104151561623443, total energy = -26.749946509587897

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: -26.749947
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8104151725769038, total energy = -26.749946509587886

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: -26.749947
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8104151630308465, total energy = -26.749946509587897

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: -26.749947
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8104151565581534, total energy = -26.7499465095879

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: -26.749947
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8104151660809293, total energy = -26.7499465095879

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: -26.749947
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.810415170155462, total energy = -26.749946509587904

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: -26.749947
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.810415153205395, total energy = -26.7499465095879

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: -26.749947
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.810415162710707, total energy = -26.74994650958789

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: -26.749947
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8104151597246507, total energy = -26.749946509587897

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: -26.749947
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8104151663719676, total energy = -26.749946509587897

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: -26.749947
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8104151644045454, total energy = -26.749946509587893

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: -26.749947
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8104151715757295, total energy = -26.74994650958789

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.81041516] Angstroms and c = 3.671510985590427 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.835256610136612, c = 4.5104335527458534, total energy = -26.760242297941105

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041516] Angstroms and c = 3.900980422189829 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.835256603400146, c = 4.5104335409534775, total energy = -26.76024229794111

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041516] Angstroms and c = 4.13044985878923 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.835256598265625, c = 4.51043357342507, total energy = -26.760242297941126

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041516] Angstroms and c = 4.359919295388632 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.835256586315915, c = 4.510433605093704, total energy = -26.760242297941115

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041516] Angstroms and c = 4.589388731988034 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.835256614131363, c = 4.510433505262193, total energy = -26.760242297941097

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041516] Angstroms and c = 4.818858168587436 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.835256590257562, c = 4.510433572325285, total energy = -26.760242297941108

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041516] Angstroms and c = 5.048327605186838 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 78
         Function evaluations: 167
Results for this minimization:
  a = 2.8352565894783357, c = 4.510433584813988, total energy = -26.76024229794112

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041516] Angstroms and c = 5.27779704178624 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.8352566052039134, c = 4.510433535234027, total energy = -26.76024229794111

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041516] Angstroms and c = 5.507266478385642 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.835256577976036, c = 4.510433585600178, total energy = -26.760242297941108

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

 Final lattice Constants:
   a = 2.835256598265625 Angstroms, c = 4.51043357342507 Angstroms, c/a = 1.590838

 Total energy: -26.760242297941126 eV

 Cohesive energy: -6.6900605744852815 eV/atom

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