Element = Lattice = Model = Element: Xe
Lattice: hcp
Model: EAM_Dynamo_Smirnova_UMoXe__MO_679329885632_002
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: -6.793595
         Iterations: 41
         Function evaluations: 90
Tmp Lattice Constants: [4.68301916]
Tmp Energy: -6.79359488357
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
         Current function value: -6.793595
         Iterations: 42
         Function evaluations: 91
Tmp Lattice Constants: [4.68301907]
Tmp Energy: -6.79359488357
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
         Current function value: -6.802296
         Iterations: 41
         Function evaluations: 88
Tmp Lattice Constants: [6.18560249]
Tmp Energy: -6.80229581976
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
         Current function value: -6.793595
         Iterations: 40
         Function evaluations: 89
Tmp Lattice Constants: [4.68301914]
Tmp Energy: -6.79359488357
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
         Current function value: -6.793595
         Iterations: 39
         Function evaluations: 84
Tmp Lattice Constants: [4.68301914]
Tmp Energy: -6.79359488357
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [4.683019141852859, 6.117870588387126]
Optimization terminated successfully.
         Current function value: -6.795346
         Iterations: 70
         Function evaluations: 148
Tmp Lattice Constants: [4.70356995 7.45447028]
Tmp Energy: -6.79534591221
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [4.683019141852859, 6.500237500161321]
Optimization terminated successfully.
         Current function value: -6.795346
         Iterations: 71
         Function evaluations: 151
Tmp Lattice Constants: [4.70356999 7.45447013]
Tmp Energy: -6.79534591221
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [4.683019141852859, 6.882604411935516]
Optimization terminated successfully.
         Current function value: -6.795346
         Iterations: 71
         Function evaluations: 150
Tmp Lattice Constants: [4.70357    7.45447026]
Tmp Energy: -6.79534591221
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [4.683019141852859, 7.264971323709711]
Optimization terminated successfully.
         Current function value: -6.795346
         Iterations: 64
         Function evaluations: 142
Tmp Lattice Constants: [4.70356993 7.45447013]
Tmp Energy: -6.79534591221
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [4.683019141852859, 7.647338235483907]
Optimization terminated successfully.
         Current function value: -6.795346
         Iterations: 66
         Function evaluations: 147
Tmp Lattice Constants: [4.70356995 7.45447035]
Tmp Energy: -6.79534591221
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [4.683019141852859, 8.029705147258102]
Optimization terminated successfully.
         Current function value: -6.802691
         Iterations: 70
         Function evaluations: 150
Tmp Lattice Constants: [4.7199649  8.61761663]
Tmp Energy: -6.80269080974
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [4.683019141852859, 8.412072059032297]
Optimization terminated successfully.
         Current function value: -6.802691
         Iterations: 62
         Function evaluations: 141
Tmp Lattice Constants: [4.71996497 8.61761653]
Tmp Energy: -6.80269080974
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [4.683019141852859, 8.794438970806493]
Optimization terminated successfully.
         Current function value: -6.802691
         Iterations: 65
         Function evaluations: 148
Tmp Lattice Constants: [4.71996501 8.61761635]
Tmp Energy: -6.80269080974
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [4.683019141852859, 9.176805882580688]
Optimization terminated successfully.
         Current function value: -6.802691
         Iterations: 68
         Function evaluations: 144
Tmp Lattice Constants: [4.71996491 8.61761653]
Tmp Energy: -6.80269080974
--------
Lattice Constants: [4.70356993 7.45447013]
Energy: -6.79534591221
Lattice Constants: 4.70356993486 7.45447012878
[
    {
        "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" 
        "instance-id" 1 
        "cauchy-stress" {
            "source-value" [
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            "source-value" 0 
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        }
    } 
    {
        "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-free-energy-hexagonal-crystal" 
        "instance-id" 2 
        "cohesive-free-energy" {
            "source-value" 6.79534591221274 
            "source-unit" "eV"
        } 
        "short-name" {
            "source-value" [
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]