Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: Sim_LAMMPS_MEAM_HennigLenoskyTrinkle_2008_Ti__SM_318953488749_000
Relaxation with c/a ratio fixed
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.0]
Creating new atoms: (1, 1, 1)
Optimization terminated successfully.
Current function value: -2.032874
Iterations: 32
Function evaluations: 73
Tmp Lattice Constants: [2.06205019]
Tmp Energy: -2.032873568414813
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -4.828997
Iterations: 35
Function evaluations: 77
Tmp Lattice Constants: [2.90936456]
Tmp Energy: -4.828997283367587
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -4.828997
Iterations: 35
Function evaluations: 77
Tmp Lattice Constants: [2.90936467]
Tmp Energy: -4.82899728336781
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -4.828997
Iterations: 33
Function evaluations: 73
Tmp Lattice Constants: [2.90936472]
Tmp Energy: -4.828997283367767
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -4.828997
Iterations: 33
Function evaluations: 73
Tmp Lattice Constants: [2.90936464]
Tmp Energy: -4.828997283367716
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.9093646705150604, 3.8007780898359473]
Optimization terminated successfully.
Current function value: -4.831184
Iterations: 87
Function evaluations: 176
Tmp Lattice Constants: [2.93049371 4.6782861 ]
Tmp Energy: -4.831183777795349
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.9093646705150604, 4.038326720450693]
Optimization terminated successfully.
Current function value: -4.831184
Iterations: 77
Function evaluations: 161
Tmp Lattice Constants: [2.9304937 4.67828607]
Tmp Energy: -4.831183777795349
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.9093646705150604, 4.275875351065441]
Optimization terminated successfully.
Current function value: -4.831184
Iterations: 73
Function evaluations: 155
Tmp Lattice Constants: [2.93049372 4.67828611]
Tmp Energy: -4.831183777795353
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.9093646705150604, 4.513423981680187]
Optimization terminated successfully.
Current function value: -4.831184
Iterations: 67
Function evaluations: 139
Tmp Lattice Constants: [2.93049372 4.67828613]
Tmp Energy: -4.83118377779535
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.9093646705150604, 4.750972612294934]
Optimization terminated successfully.
Current function value: -4.831184
Iterations: 69
Function evaluations: 149
Tmp Lattice Constants: [2.93049371 4.6782861 ]
Tmp Energy: -4.831183777795352
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.9093646705150604, 4.98852124290968]
Optimization terminated successfully.
Current function value: -4.831184
Iterations: 71
Function evaluations: 156
Tmp Lattice Constants: [2.93049374 4.67828615]
Tmp Energy: -4.831183777795349
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.9093646705150604, 5.226069873524428]
Optimization terminated successfully.
Current function value: -4.831184
Iterations: 71
Function evaluations: 153
Tmp Lattice Constants: [2.93049371 4.67828616]
Tmp Energy: -4.831183777795349
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.9093646705150604, 5.463618504139173]
Optimization terminated successfully.
Current function value: -4.831184
Iterations: 69
Function evaluations: 152
Tmp Lattice Constants: [2.93049374 4.67828612]
Tmp Energy: -4.831183777795348
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.9093646705150604, 5.701167134753921]
Optimization terminated successfully.
Current function value: -4.831184
Iterations: 75
Function evaluations: 159
Tmp Lattice Constants: [2.93049375 4.67828607]
Tmp Energy: -4.831183777795353
--------
Lattice Constants: [2.93049372 4.67828611]
Energy: -4.831183777795353
Lattice Constants: 2.9304937181465425 4.678286111292186
[
{
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"instance-id" 1
"cauchy-stress" {
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{
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"cohesive-free-energy" {
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"short-name" {
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