Element = Lattice = Model = Element: Ag
Lattice: hcp
Model: EAM_Dynamo_Ackland_Tichy_Ag__MO_212700056563_004
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: -2.893493
Iterations: 36
Function evaluations: 77
Tmp Lattice Constants: [2.94257374]
Tmp Energy: -2.8934926205
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -2.893493
Iterations: 36
Function evaluations: 77
Tmp Lattice Constants: [2.94257375]
Tmp Energy: -2.8934926205
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -2.893493
Iterations: 34
Function evaluations: 74
Tmp Lattice Constants: [2.94257373]
Tmp Energy: -2.8934926205
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -2.893493
Iterations: 34
Function evaluations: 72
Tmp Lattice Constants: [2.94257375]
Tmp Energy: -2.8934926205
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -2.893493
Iterations: 32
Function evaluations: 68
Tmp Lattice Constants: [2.94257374]
Tmp Energy: -2.8934926205
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.9425737351179153, 3.8441622301624094]
Optimization terminated successfully.
Current function value: -2.901761
Iterations: 74
Function evaluations: 157
Tmp Lattice Constants: [2.89663152 4.91418476]
Tmp Energy: -2.90176142668
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.9425737351179153, 4.08442236954756]
Optimization terminated successfully.
Current function value: -2.901761
Iterations: 68
Function evaluations: 146
Tmp Lattice Constants: [2.89663155 4.91418477]
Tmp Energy: -2.90176142668
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.9425737351179153, 4.32468250893271]
Optimization terminated successfully.
Current function value: -2.901761
Iterations: 71
Function evaluations: 151
Tmp Lattice Constants: [2.89663154 4.91418478]
Tmp Energy: -2.90176142668
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.9425737351179153, 4.564942648317861]
Optimization terminated successfully.
Current function value: -2.901761
Iterations: 72
Function evaluations: 149
Tmp Lattice Constants: [2.89663155 4.9141848 ]
Tmp Energy: -2.90176142668
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.9425737351179153, 4.805202787703012]
Optimization terminated successfully.
Current function value: -2.901761
Iterations: 65
Function evaluations: 139
Tmp Lattice Constants: [2.89663151 4.91418485]
Tmp Energy: -2.90176142668
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.9425737351179153, 5.045462927088162]
Optimization terminated successfully.
Current function value: -2.901761
Iterations: 69
Function evaluations: 143
Tmp Lattice Constants: [2.89663154 4.91418473]
Tmp Energy: -2.90176142668
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.9425737351179153, 5.285723066473313]
Optimization terminated successfully.
Current function value: -2.901761
Iterations: 66
Function evaluations: 141
Tmp Lattice Constants: [2.89663153 4.91418482]
Tmp Energy: -2.90176142668
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.9425737351179153, 5.525983205858463]
Optimization terminated successfully.
Current function value: -2.901761
Iterations: 70
Function evaluations: 153
Tmp Lattice Constants: [2.89663155 4.91418483]
Tmp Energy: -2.90176142668
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.9425737351179153, 5.7662433452436135]
Optimization terminated successfully.
Current function value: -2.901761
Iterations: 79
Function evaluations: 166
Tmp Lattice Constants: [2.89663154 4.91418478]
Tmp Energy: -2.90176142668
--------
Lattice Constants: [2.89663154 4.91418478]
Energy: -2.90176142668
Lattice Constants: 2.89663153837 4.91418477894
[
{
"property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt"
"instance-id" 1
"cauchy-stress" {
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{
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"instance-id" 2
"cohesive-free-energy" {
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"short-name" {
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