Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_000
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: 83
Results for this minimization:
  a = 2.7515472587198047, total energy = -15.557344914499305

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 = 2.7515472443774334, total energy = -15.557344914499307

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: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.75154723925516, total energy = -15.557344914499305

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: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.751547250524169, total energy = -15.557344914499305

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.75154725192115, total energy = -15.557344914499307

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 = 2.7515472516417523, total energy = -15.557344914499307

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 = 2.7515472523868096, total energy = -15.557344914499307

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7515472422819585, total energy = -15.557344914499309

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.751547244191171, total energy = -15.557344914499307

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.751547240908258, total energy = -15.557344914499303

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: 76
Results for this minimization:
  a = 2.751547242701054, total energy = -15.557344914499307

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.751547242747619, total energy = -15.557344914499305

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7515472541563213, total energy = -15.557344914499303

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7515472408151256, total energy = -15.55734491449931

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: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.751547244377434, total energy = -15.557344914499307

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7515472523868083, total energy = -15.557344914499303

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: 75
Results for this minimization:
  a = 2.7515472488477815, total energy = -15.557344914499307

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: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.7515472412778763, total energy = -15.557344914499305

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: 74
Results for this minimization:
  a = 2.7515472467988724, total energy = -15.557344914499307

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: 74
Results for this minimization:
  a = 2.7515472510829557, total energy = -15.557344914499303

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.751547245867549, total energy = -15.557344914499303

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7515472415077955, total energy = -15.557344914499303

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7515472415834665, total energy = -15.55734491449931

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: 77
Results for this minimization:
  a = 2.7515472433093215, total energy = -15.557344914499307

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.751547239348291, total energy = -15.55734491449931

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: 78
Results for this minimization:
  a = 2.751547250332079, total energy = -15.557344914499302

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: 78
Results for this minimization:
  a = 2.751547258917705, total energy = -15.557344914499305

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.751547252468299, total energy = -15.557344914499307

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 = 2.751547255273904, total energy = -15.557344914499303

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: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.751547247800043, total energy = -15.557344914499309

==============================================================================
==============================================================================
 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 = 3.5946062630186697 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 2.7405350030621776, c = 4.529958789488414, total energy = -15.560109465048205

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 3.8192691544573365 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.7405350189569804, c = 4.529958741183654, total energy = -15.5601094650482

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.043932045896003 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.7405350052051793, c = 4.5299587957333, total energy = -15.560109465048201

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.2685949373346705 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 2.7405350104404644, c = 4.529958766743167, total energy = -15.560109465048205

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.493257828773337 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.7405350144427914, c = 4.529958754840811, total energy = -15.560109465048198

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.717920720212003 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.7405350090343283, c = 4.52995875580252, total energy = -15.560109465048203

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.9425836116506705 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.740535001564277, c = 4.5299588189503, total energy = -15.560109465048201

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 5.167246503089338 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.7405350145090153, c = 4.5299587950023845, total energy = -15.560109465048196

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 5.391909394528004 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.7405350061153744, c = 4.52995877969325, total energy = -15.560109465048203

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

 Final lattice Constants:
   a = 2.7405350030621776 Angstroms, c = 4.529958789488414 Angstroms, c/a = 1.652947

 Total energy: -15.560109465048205 eV

 Cohesive energy: -3.8900273662620513 eV/atom

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