Element = Lattice = Model = Element: Zr
Lattice: hcp
Model: EAM_Dynamo_Mendelev_2007_Zr__MO_848899341753_000
Computed model cutoff of 7.599289038181314 Angstroms
Computed isolated atomic energy of 0.0 eV for species Zr

==============================================================================
==============================================================================
 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:
Calling "kim_model.compute" failed.

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:
Calling "kim_model.compute" failed.

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:
Calling "kim_model.compute" failed.

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:
Calling "kim_model.compute" failed.

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:
Calling "kim_model.compute" failed.

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:
Calling "kim_model.compute" failed.

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:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.875 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 = 1.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -26.530908
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.208725117146973, total energy = -26.530908270819154

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: -26.530908
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.2087251037359255, total energy = -26.530908270819175

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: -26.530908
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.208725163433701, total energy = -26.530908270819147

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: -26.530908
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.2087251096963865, total energy = -26.530908270819094

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: -26.530908
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.208725184202194, total energy = -26.53090827081911

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: -26.530908
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.208725111186505, total energy = -26.530908270819115

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: -26.530908
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.208725163701457, total energy = -26.530908270819054

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: -26.530908
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.2087251617835135, total energy = -26.530908270819115

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: -26.530908
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.208725088834763, total energy = -26.53090827081904

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: -26.530908
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.208725140430033, total energy = -26.53090827081918

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: -26.530908
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.2087251245975494, total energy = -26.530908270819033

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: -26.530908
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.208725217208848, total energy = -26.530908270818962

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: -26.530908
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.2087251842021938, total energy = -26.53090827081912

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: -26.530908
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.208725166693329, total energy = -26.530908270819122

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: -26.530908
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.2087251357734203, total energy = -26.53090827081918

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: -26.530908
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2087251625023767, total energy = -26.530908270819058

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: -26.530908
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.208725117146969, total energy = -26.530908270819115

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: -26.530908
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2087251276534534, total energy = -26.530908270819197

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: -26.530908
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.208725103735922, total energy = -26.530908270819175

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: -26.530908
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.208725184202194, total energy = -26.530908270819108

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: -26.530908
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.208725163433699, total energy = -26.530908270819126

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: -26.530908
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2087251195218407, total energy = -26.5309082708191

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: -26.530908
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.2087251101387677, total energy = -26.530908270819104

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: -26.530908
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.2087251200573497, total energy = -26.530908270819143

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: -26.530908
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.2087251180782914, total energy = -26.53090827081917

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: -26.530908
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.2087251631950457, total energy = -26.530908270819097

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: -26.530908
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.2087251111865025, total energy = -26.530908270819094

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: -26.530908
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.2087252077937602, total energy = -26.530908270819094

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: -1.039236
         Iterations: 33
         Function evaluations: 75
Results for this minimization:
  a = 5.725160649418831, total energy = -1.0392362277199578

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 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 = 5.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.75 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 = 5.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.875 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 = 5.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.0 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 = 6.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.039236
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 5.725160642713307, total energy = -1.0392362277199578

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 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 = 6.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.375 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 = 6.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.5 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 = 6.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.625 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 = 6.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.2087252228666294, total energy = -26.530908270818937

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.2087251036427915, total energy = -26.53090827081909

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.208725184202193, total energy = -26.53090827081911

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.208725168200903, total energy = -26.53090827081915

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 41
         Function evaluations: 91
Results for this minimization:
  a = 3.2087251059245245, total energy = -26.53090827081909

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.2087251764722136, total energy = -26.53090827081914

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2087251357734203, total energy = -26.530908270819168

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.208725168200912, total energy = -26.53090827081916

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.20872513] Angstroms and c = 4.191860953385482 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.234055300169252, c = 5.16765011759786, total energy = -26.538836780871666

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872513] Angstroms and c = 4.453852262972075 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 3.234055258513577, c = 5.167650161916248, total energy = -26.53883678087165

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872513] Angstroms and c = 4.715843572558668 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 62
         Function evaluations: 138
Results for this minimization:
  a = 3.2340552784056062, c = 5.1676501490509335, total energy = -26.538836780871637

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872513] Angstroms and c = 4.9778348821452605 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 66
         Function evaluations: 148
Results for this minimization:
  a = 3.2340552443847885, c = 5.167650199630013, total energy = -26.538836780871684

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872513] Angstroms and c = 5.239826191731853 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 3.2340553461504253, c = 5.167650031344168, total energy = -26.538836780871616

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872513] Angstroms and c = 5.501817501318446 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 3.2340552349475535, c = 5.167650244262676, total energy = -26.53883678087162

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872513] Angstroms and c = 5.763808810905039 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.2340552707514436, c = 5.167650098188808, total energy = -26.53883678087168

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872513] Angstroms and c = 6.025800120491632 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 3.234055289401273, c = 5.167650278858943, total energy = -26.53883678087162

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872513] Angstroms and c = 6.287791430078225 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 3.23405534962013, c = 5.167649923564801, total energy = -26.53883678087161

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

 Final lattice Constants:
   a = 3.2340552443847885 Angstroms, c = 5.167650199630013 Angstroms, c/a = 1.597886

 Total energy: -26.538836780871684 eV

 Cohesive energy: -6.634709195217921 eV/atom

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