Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_000
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

==============================================================================
==============================================================================
 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: -14.129949
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.555898487567906, total energy = -14.129948551741137

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: -14.129949
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.555898468196392, total energy = -14.129948551741133

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: -14.129949
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.555898502469063, total energy = -14.129948551741132

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: -14.129949
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5558984935283715, total energy = -14.129948551741137

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: -14.129949
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5558984863571848, total energy = -14.129948551741139

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: -14.129949
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.555898484471255, total energy = -14.12994855174114

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: -14.129949
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.555898490920664, total energy = -14.129948551741135

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: -14.129949
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5558984894305468, total energy = -14.129948551741137

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: -14.129949
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.555898488126698, total energy = -14.129948551741137

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: -14.129949
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.555898475740106, total energy = -14.129948551741137

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: -14.129949
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5558984849601982, total energy = -14.12994855174114

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: -14.129949
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5558984849601982, total energy = -14.129948551741137

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: -14.129949
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5558984838426113, total energy = -14.129948551741139

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: -14.129949
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.555898476578296, total energy = -14.12994855174114

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: -14.129949
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.555898477137089, total energy = -14.129948551741135

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: -14.129949
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5558984876610333, total energy = -14.129948551741142

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: -14.129949
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.555898489989339, total energy = -14.129948551741137

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: -14.129949
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.555898487335071, total energy = -14.129948551741137

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: -14.129949
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5558984826551745, total energy = -14.129948551741135

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: -14.129949
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5558984842267813, total energy = -14.12994855174114

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: -14.129949
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.55589848831296, total energy = -14.129948551741137

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: -14.129949
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.55589848484378, total energy = -14.129948551741137

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: -14.129949
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.555898483929923, total energy = -14.129948551741139

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: -14.129949
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5558984944596856, total energy = -14.129948551741135

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: -14.129949
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5558984756469725, total energy = -14.129948551741139

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: -14.129949
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.555898490102846, total energy = -14.129948551741135

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: -14.129949
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5558984757401024, total energy = -14.129948551741135

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: -14.129949
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.555898491817061, total energy = -14.129948551741139

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: -14.129949
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5558984950184778, total energy = -14.129948551741137

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: -14.129949
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5558984769508224, total energy = -14.129948551741133

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: -14.129949
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5558984911534948, total energy = -14.12994855174114

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: -14.129949
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5558984744828157, total energy = -14.12994855174114

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 3.3390118021977275 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.551683997634201, c = 4.187599075217239, total energy = -14.130357693984642

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 3.5477000398350853 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.5516839976605397, c = 4.187599106294378, total energy = -14.130357693984644

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 3.756388277472443 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.5516839900844883, c = 4.187599097716974, total energy = -14.130357693984644

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 3.965076515109801 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.5516839863282677, c = 4.187599097749034, total energy = -14.130357693984644

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 4.173764752747159 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.5516839856209628, c = 4.187599071360814, total energy = -14.13035769398464

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 4.382452990384516 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.5516839891866434, c = 4.187599060571349, total energy = -14.130357693984642

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 4.591141228021874 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.551683995069884, c = 4.187599091022541, total energy = -14.130357693984646

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 4.799829465659232 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.551683989853018, c = 4.187599075872793, total energy = -14.130357693984646

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 5.00851770329659 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.551683988948745, c = 4.187599112604831, total energy = -14.13035769398464

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

 Final lattice Constants:
   a = 2.551683995069884 Angstroms, c = 4.187599091022541 Angstroms, c/a = 1.641112

 Total energy: -14.130357693984646 eV

 Cohesive energy: -3.5325894234961615 eV/atom

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