Element = Lattice = Model = Element: Mn
Lattice: hcp
Model: MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_000
Computed model cutoff of 3.999999990463257 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: -11.665511
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.6035475395619896, total energy = -11.665510774088153

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: -11.665511
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.603547536674886, total energy = -11.66551077408816

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: -11.665511
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.6035475321114063, total energy = -11.665510774088151

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: -11.665511
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.6035475596785593, total energy = -11.665510774088142

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: -11.665511
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.6035475425422225, total energy = -11.665510774088157

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: -11.665511
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.603547535720284, total energy = -11.665510774088155

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: -11.665511
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.603547554835677, total energy = -11.665510774088148

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: -11.665511
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6035475246608257, total energy = -11.665510774088146

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: -11.665511
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.603547534346582, total energy = -11.665510774088158

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: -11.665511
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.6035475499928, total energy = -11.665510774088153

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: -11.665511
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.603547539189458, total energy = -11.665510774088157

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: -11.665511
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.6035475405864417, total energy = -11.665510774088153

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: -11.665511
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.6035475321114063, total energy = -11.665510774088153

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: -11.665511
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.603547539189458, total energy = -11.665510774088158

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: -11.665511
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.6035475394455716, total energy = -11.665510774088155

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: -11.665511
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.6035475397482517, total energy = -11.665510774088155

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: -11.665511
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.603547544777393, total energy = -11.665510774088153

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: -11.665511
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.603547545004403, total energy = -11.665510774088153

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: -11.665511
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6035475357202813, total energy = -11.665510774088155

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: -11.665511
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.603547553438692, total energy = -11.665510774088151

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: -11.665511
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.603547537233678, total energy = -11.665510774088155

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: -11.665511
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.603547549853099, total energy = -11.665510774088153

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: -11.665511
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6035475386306643, total energy = -11.665510774088157

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: -11.665511
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.6035475328681024, total energy = -11.665510774088155

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: -11.665511
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.603547533228992, total energy = -11.66551077408815

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.60354754] Angstroms and c = 3.401260259164557 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666911
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.6129497670820907, c = 4.220231531376799, total energy = -11.66691100158246

Attempting to perform relaxation using initial lattice constant guess of a = [2.60354754] Angstroms and c = 3.613839025362342 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666911
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.6129497642994424, c = 4.220231505948284, total energy = -11.666911001582465

Attempting to perform relaxation using initial lattice constant guess of a = [2.60354754] Angstroms and c = 3.826417791560127 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666911
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.6129497593062947, c = 4.220231526688954, total energy = -11.666911001582461

Attempting to perform relaxation using initial lattice constant guess of a = [2.60354754] Angstroms and c = 4.038996557757912 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666911
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.612949761559927, c = 4.2202315037209, total energy = -11.666911001582461

Attempting to perform relaxation using initial lattice constant guess of a = [2.60354754] Angstroms and c = 4.251575323955697 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666911
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.6129497721731463, c = 4.220231491929642, total energy = -11.66691100158246

Attempting to perform relaxation using initial lattice constant guess of a = [2.60354754] Angstroms and c = 4.464154090153482 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666911
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.61294976241228, c = 4.220231514282282, total energy = -11.666911001582463

Attempting to perform relaxation using initial lattice constant guess of a = [2.60354754] Angstroms and c = 4.676732856351267 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666911
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.612949751335119, c = 4.2202315664828856, total energy = -11.666911001582456

Attempting to perform relaxation using initial lattice constant guess of a = [2.60354754] Angstroms and c = 4.889311622549052 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666911
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.612949763280522, c = 4.220231506154292, total energy = -11.666911001582461

Attempting to perform relaxation using initial lattice constant guess of a = [2.60354754] Angstroms and c = 5.1018903887468365 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.666911
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 2.6129497621299334, c = 4.220231480331336, total energy = -11.66691100158246

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

 Final lattice Constants:
   a = 2.6129497642994424 Angstroms, c = 4.220231505948284 Angstroms, c/a = 1.615122

 Total energy: -11.666911001582465 eV

 Cohesive energy: -2.916727750395616 eV/atom

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