Element = Lattice = Model = Element: H
Lattice: hcp
Model: EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
Computed model cutoff of 2.776325239613678 Angstroms
Computed isolated atomic energy of 0.0 eV for species H

==============================================================================
==============================================================================
 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: -8.289873
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.691753411293032, total energy = -8.289872789746509

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: -8.289873
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 1.6917533800005917, total energy = -8.289872789746509

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: -8.289873
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 1.6917533949017525, total energy = -8.289872789746509

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: -8.289873
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.6917533858970282, total energy = -8.289872789746516

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: -8.289873
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 1.6917533755302432, total energy = -8.289872789746505

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: -8.289873
         Iterations: 31
         Function evaluations: 66
Results for this minimization:
  a = 1.6917533747153357, total energy = -8.289872789746504

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: -8.289873
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 1.691753386706114, total energy = -8.289872789746513

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: -8.289873
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.6917533855885267, total energy = -8.289872789746507

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: -8.289873
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 1.6917534112930297, total energy = -8.289872789746502

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: -8.289873
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.6917533927597097, total energy = -8.289872789746509

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: -8.289873
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 1.6917533825151607, total energy = -8.289872789746516

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: -8.289873
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 1.6917533752275635, total energy = -8.28987278974651

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: -8.289873
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 1.6917533949017525, total energy = -8.289872789746507

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: -8.289873
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 1.691753394529223, total energy = -8.28987278974651

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: -8.289873
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.691753394156693, total energy = -8.28987278974651

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [1.69175339] Angstroms and c = 2.210097368572524 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.228474
         Iterations: 112
         Function evaluations: 246
Results for this minimization:
  a = 5.038048603195845, c = 1.066157312753509, total energy = -9.228473982148811

Attempting to perform relaxation using initial lattice constant guess of a = [1.69175339] Angstroms and c = 2.3482284541083067 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.228474
         Iterations: 118
         Function evaluations: 260
Results for this minimization:
  a = 4.759157015243984, c = 1.0661573108910591, total energy = -9.228473982148813

Attempting to perform relaxation using initial lattice constant guess of a = [1.69175339] Angstroms and c = 2.4863595396440896 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.294402
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 1.758721608928692, c = 2.573886417903042, total energy = -8.294401975596937

Attempting to perform relaxation using initial lattice constant guess of a = [1.69175339] Angstroms and c = 2.6244906251798725 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.294402
         Iterations: 65
         Function evaluations: 145
Results for this minimization:
  a = 1.7587216071801695, c = 2.5738864410822817, total energy = -8.29440197559694

Attempting to perform relaxation using initial lattice constant guess of a = [1.69175339] Angstroms and c = 2.7626217107156554 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.847230
         Iterations: 108
         Function evaluations: 229
Results for this minimization:
  a = 1.4361133135977728, c = 5.331182068115069, total energy = -8.847230397175055

Attempting to perform relaxation using initial lattice constant guess of a = [1.69175339] Angstroms and c = 2.9007527962514383 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.847230
         Iterations: 94
         Function evaluations: 208
Results for this minimization:
  a = 1.4361133185364283, c = 5.35249659274055, total energy = -8.847230397175059

Attempting to perform relaxation using initial lattice constant guess of a = [1.69175339] Angstroms and c = 3.0388838817872212 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.847230
         Iterations: 93
         Function evaluations: 204
Results for this minimization:
  a = 1.436113314743861, c = 5.2756264214632305, total energy = -8.847230397175409

Attempting to perform relaxation using initial lattice constant guess of a = [1.69175339] Angstroms and c = 3.177014967323004 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.847230
         Iterations: 94
         Function evaluations: 210
Results for this minimization:
  a = 1.4361133140339488, c = 6.652875869885943, total energy = -8.847230397175055

Attempting to perform relaxation using initial lattice constant guess of a = [1.69175339] Angstroms and c = 3.315146052858787 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.847230
         Iterations: 92
         Function evaluations: 215
Results for this minimization:
  a = 1.4361133038121978, c = 5.645340937409284, total energy = -8.847230397175055

Attempting to perform relaxation using initial lattice constant guess of a = [1.69175339] Angstroms and c = 3.45327713839457 = ([2.04124145] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.847230
         Iterations: 92
         Function evaluations: 215
Results for this minimization:
  a = 1.436113306512373, c = 6.023441889847328, total energy = -8.847230397175053