Element = Lattice = Model = Element: W
Lattice: hcp
Model: MEAM_LAMMPS_ParkFellingerLenosky_2012_W__MO_560940542741_001
Computed model cutoff of 5.499999961406003 Angstroms
Computed isolated atomic energy of 0.0 eV for species W

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.49999999999999956 Angstroms and c = 0.8164965809277253 Angstroms; the model cutoff was estimated to be 5.499999961406003 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 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 = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.33749999999999813 Angstroms and c = 0.551135192126212 Angstroms; the model cutoff was estimated to be 5.499999961406003 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 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 = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.375 Angstroms and c = 0.6123724356957945 Angstroms; the model cutoff was estimated to be 5.499999961406003 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 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 = 1.375 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.41249999999999876 Angstroms and c = 0.673609679265372 Angstroms; the model cutoff was estimated to be 5.499999961406003 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 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 = 1.5 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.4499999999999975 Angstroms and c = 0.7348469228349493 Angstroms; the model cutoff was estimated to be 5.499999961406003 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.625 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 = 1.625 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.48749999999999805 Angstroms and c = 0.7960841664045297 Angstroms; the model cutoff was estimated to be 5.499999961406003 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 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 = 1.75 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.5249999999999995 Angstroms and c = 0.8573214099741114 Angstroms; the model cutoff was estimated to be 5.499999961406003 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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: -33.567659
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8452634178102016, total energy = -33.56765873010166

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: -33.567659
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.845263487100603, total energy = -33.567658730101584

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: -33.567659
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.8452634765068083, total energy = -33.567658730101634

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: -33.567659
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8452634579909506, total energy = -33.56765873010174

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: -33.567659
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.84526347494684, total energy = -33.567658730101584

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: -33.567659
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8452634178102016, total energy = -33.56765873010162

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: -33.567659
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.845263477042317, total energy = -33.567658730101606

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: -33.567659
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8452634441317057, total energy = -33.567658730101755

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: -33.567659
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.845263454318046, total energy = -33.567658730101684

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: -33.567659
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.845263486821204, total energy = -33.567658730101606

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: -33.567659
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8452634916175157, total energy = -33.56765873010165

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: -33.567659
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8452634518500406, total energy = -33.56765873010166

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: -33.567659
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.845263444632291, total energy = -33.56765873010172

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: -33.567659
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.845263426192104, total energy = -33.567658730101705

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: -33.567659
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.8452634748071417, total energy = -33.56765873010161

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: -33.567659
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8452634178102016, total energy = -33.56765873010161

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: -33.567659
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.845263454318043, total energy = -33.567658730101726

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: -33.567659
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8452634747140095, total energy = -33.567658730101606

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: -33.567659
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.84526342690806, total energy = -33.56765873010161

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: -1.423268
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 4.604739559814334, total energy = -1.4232676739584689

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: -1.423268
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.604739546251949, total energy = -1.4232676739584693

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: -1.423268
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.604739548102954, total energy = -1.42326767395847

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: -1.423268
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.604739546822383, total energy = -1.423267673958468

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: -1.423268
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.60473956130445, total energy = -1.4232676739584684

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: -1.423268
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.60473956130445, total energy = -1.4232676739584682

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: -33.567659
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.8452634178102016, total energy = -33.567658730101584

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: -33.567659
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8452634615154198, total energy = -33.56765873010162

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.423268
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.604739554319533, total energy = -1.423267673958467

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.423268
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.604739562049509, total energy = -1.4232676739584667

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.567659
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8452634442597593, total energy = -33.56765873010171

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.84526344] Angstroms and c = 3.7170365983554943 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.600734
         Iterations: 77
         Function evaluations: 167
Results for this minimization:
  a = 2.8096635751909873, c = 4.7478509660584205, total energy = -33.60073353727899

Attempting to perform relaxation using initial lattice constant guess of a = [2.84526344] Angstroms and c = 3.9493513857527125 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.600734
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.809663613863111, c = 4.747850787765613, total energy = -33.600733537278956

Attempting to perform relaxation using initial lattice constant guess of a = [2.84526344] Angstroms and c = 4.181666173149931 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.600734
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.8096635413911417, c = 4.747851136815055, total energy = -33.60073353727884

Attempting to perform relaxation using initial lattice constant guess of a = [2.84526344] Angstroms and c = 4.413980960547149 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.600734
         Iterations: 64
         Function evaluations: 139
Results for this minimization:
  a = 2.809663552295453, c = 4.747850989595669, total energy = -33.600733537279005

Attempting to perform relaxation using initial lattice constant guess of a = [2.84526344] Angstroms and c = 4.646295747944367 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.600734
         Iterations: 60
         Function evaluations: 136
Results for this minimization:
  a = 2.8096635901642513, c = 4.74785087128191, total energy = -33.60073353727901

Attempting to perform relaxation using initial lattice constant guess of a = [2.84526344] Angstroms and c = 4.878610535341585 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.600734
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.809663586540781, c = 4.747850939103678, total energy = -33.60073353727902

Attempting to perform relaxation using initial lattice constant guess of a = [2.84526344] Angstroms and c = 5.110925322738804 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.600734
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.8096635743962386, c = 4.747850889616015, total energy = -33.600733537279005

Attempting to perform relaxation using initial lattice constant guess of a = [2.84526344] Angstroms and c = 5.343240110136022 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.600734
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 2.809663596359814, c = 4.747850809087657, total energy = -33.600733537278984

Attempting to perform relaxation using initial lattice constant guess of a = [2.84526344] Angstroms and c = 5.57555489753324 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.600734
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 2.8096635984528153, c = 4.747850879792013, total energy = -33.60073353727898

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

 Final lattice Constants:
   a = 2.809663586540781 Angstroms, c = 4.747850939103678 Angstroms, c/a = 1.689829

 Total energy: -33.60073353727902 eV

 Cohesive energy: -8.400183384319755 eV/atom

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