Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_001
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pd

==============================================================================
==============================================================================
 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: -15.557345
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7515472431667174, total energy = -15.55734491449947

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: -15.557345
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.751547249406576, total energy = -15.557344914499465

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: -15.557345
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7515472434461117, total energy = -15.557344914499463

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: -15.557345
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.7515472546219883, total energy = -15.557344914499462

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: -15.557345
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7515472538769274, total energy = -15.55734491449946

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: -15.557345
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.751547246798875, total energy = -15.557344914499467

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: -15.557345
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.751547248475255, total energy = -15.557344914499463

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: -15.557345
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.751547247869894, total energy = -15.557344914499463

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: -15.557345
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.751547255739571, total energy = -15.557344914499465

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: -15.557345
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7515472397208223, total energy = -15.557344914499463

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: -15.557345
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.751547256112099, total energy = -15.55734491449946

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: -15.557345
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7515472435217805, total energy = -15.557344914499467

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: -15.557345
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.751547243562527, total energy = -15.557344914499463

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: -15.557345
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7515472510829566, total energy = -15.557344914499463

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: -15.557345
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7515472588478582, total energy = -15.557344914499463

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: -15.557345
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.751547250244766, total energy = -15.557344914499463

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: -15.557345
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7515472427010526, total energy = -15.557344914499465

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: -15.557345
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7515472356026294, total energy = -15.55734491449946

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: -15.557345
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7515472419559948, total energy = -15.557344914499467

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: -15.557345
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7515472353668873, total energy = -15.557344914499462

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: -15.557345
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7515472419559943, total energy = -15.557344914499465

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: -15.557345
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7515472443774334, total energy = -15.557344914499467

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: -15.557345
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.751547247346025, total energy = -15.557344914499463

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: -15.557345
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7515472448430933, total energy = -15.557344914499469

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: -15.557345
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7515472471714006, total energy = -15.557344914499462

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: -15.557345
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7515472504281218, total energy = -15.557344914499469

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: -15.557345
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7515472397208187, total energy = -15.55734491449946

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: -15.557345
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7515472512459382, total energy = -15.557344914499467

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: -15.557345
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7515472527593334, total energy = -15.557344914499463

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: -15.557345
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7515472348779424, total energy = -15.55734491449946

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 3.5946062660907763 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.7405350125685457, c = 4.5299587810001825, total energy = -15.560109465056595

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 3.81926915772145 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.7405350021918102, c = 4.529958811357531, total energy = -15.560109465056597

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.043932049352124 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.740535011461141, c = 4.529958775874649, total energy = -15.560109465056597

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.268594940982798 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.7405350094492498, c = 4.529958755224623, total energy = -15.560109465056598

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.493257832613471 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.740534999633928, c = 4.529958795203028, total energy = -15.5601094650566

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.717920724244145 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.7405350082222935, c = 4.529958782765286, total energy = -15.5601094650566

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.942583615874819 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.7405350178756476, c = 4.529958752980301, total energy = -15.560109465056597

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 5.167246507505492 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 2.7405350189798643, c = 4.529958800248476, total energy = -15.560109465056593

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 5.391909399136166 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.7405350052472857, c = 4.529958789036263, total energy = -15.560109465056598

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

 Final lattice Constants:
   a = 2.740534999633928 Angstroms, c = 4.529958795203028 Angstroms, c/a = 1.652947

 Total energy: -15.5601094650566 eV

 Cohesive energy: -3.89002736626415 eV/atom

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