Element = Lattice = Model = Element: Mn
Lattice: hcp
Model: MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_000
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mn

==============================================================================
==============================================================================
 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: -11.471814
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.6061522006988556, total energy = -11.471813706093824

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: -11.471814
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.606152195483446, total energy = -11.471813706093824

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: -11.471814
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.6061521957162768, total energy = -11.471813706093855

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: -11.471814
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.6061522012576503, total energy = -11.471813706093833

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: -11.471814
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.6061522250995064, total energy = -11.471813706093812

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: -11.471814
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.606152206496338, total energy = -11.471813706093839

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: -11.471814
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.606152178347111, total energy = -11.471813706093807

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: -11.471814
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.60615219688043, total energy = -11.471813706093833

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: -11.471814
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.606152200791986, total energy = -11.471813706093805

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: -11.471814
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.6061521835625174, total energy = -11.471813706093814

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: -11.471814
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.6061521753668795, total energy = -11.471813706093831

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: -11.471814
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.6061522166710347, total energy = -11.471813706093812

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: -11.471814
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.6061521957162768, total energy = -11.471813706093858

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: -11.471814
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.606152197578922, total energy = -11.471813706093814

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: -11.471814
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.606152201257645, total energy = -11.471813706093831

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: -11.471814
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.606152191903675, total energy = -11.471813706093823

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: -11.471814
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.606152225099503, total energy = -11.471813706093801

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: -11.471814
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.606152193475282, total energy = -11.47181370609381

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: -11.471814
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6061521780444306, total energy = -11.4718137060938

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: -11.471814
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.606152189406565, total energy = -11.47181370609383

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: -11.471814
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6061521868221442, total energy = -11.47181370609381

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: -11.471814
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.6061522018164385, total energy = -11.471813706093867

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: -11.471814
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.60615219688043, total energy = -11.471813706093842

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: -11.471814
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.606152191106226, total energy = -11.471813706093817

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: -11.471814
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.606152203306554, total energy = -11.471813706093814

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: -11.471814
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.606152170459975, total energy = -11.471813706093787

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: -11.471814
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.6061521867290107, total energy = -11.471813706093808

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: -11.471814
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.606152186577674, total energy = -11.471813706093826

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: -11.471814
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.606152196321632, total energy = -11.471813706093826

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: -11.471814
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.6061521975789206, total energy = -11.471813706093805

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: -11.471814
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.606152205611581, total energy = -11.471813706093805

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: -11.471814
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.606152199534696, total energy = -11.47181370609384

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -11.471814
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.6061522003728896, total energy = -11.471813706093828

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -11.471814
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.606152192340228, total energy = -11.471813706093819

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.6061522] Angstroms and c = 3.4046629794566194 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.474531
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.61532427104755, c = 4.224360723999701, total energy = -11.474530809350709

Attempting to perform relaxation using initial lattice constant guess of a = [2.6061522] Angstroms and c = 3.617454415672658 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.474531
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.6153242546558433, c = 4.224360770207358, total energy = -11.474530809350664

Attempting to perform relaxation using initial lattice constant guess of a = [2.6061522] Angstroms and c = 3.8302458518886966 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.474531
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.6153242711524793, c = 4.224360659663281, total energy = -11.474530809350673

Attempting to perform relaxation using initial lattice constant guess of a = [2.6061522] Angstroms and c = 4.043037288104735 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.474531
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.615324284529345, c = 4.224360705819622, total energy = -11.474530809350675

Attempting to perform relaxation using initial lattice constant guess of a = [2.6061522] Angstroms and c = 4.255828724320773 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.474531
         Iterations: 72
         Function evaluations: 148
Results for this minimization:
  a = 2.6153242527519853, c = 4.224360608618867, total energy = -11.474530809350675

Attempting to perform relaxation using initial lattice constant guess of a = [2.6061522] Angstroms and c = 4.468620160536812 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.474531
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.6153242542334065, c = 4.224360701401121, total energy = -11.474530809350664

Attempting to perform relaxation using initial lattice constant guess of a = [2.6061522] Angstroms and c = 4.6814115967528505 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.474531
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.615324270586431, c = 4.224360736702378, total energy = -11.474530809350682

Attempting to perform relaxation using initial lattice constant guess of a = [2.6061522] Angstroms and c = 4.894203032968889 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.474531
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.615324291319564, c = 4.224360709465159, total energy = -11.47453080935066

Attempting to perform relaxation using initial lattice constant guess of a = [2.6061522] Angstroms and c = 5.106994469184928 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.474531
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.615324243314806, c = 4.224360697921862, total energy = -11.474530809350679

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

 Final lattice Constants:
   a = 2.61532427104755 Angstroms, c = 4.224360723999701 Angstroms, c/a = 1.615234

 Total energy: -11.474530809350709 eV

 Cohesive energy: -2.868632702337677 eV/atom

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