Element = Lattice = Model = Element: Co
Lattice: hcp
Model: EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
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: -2.311331
         Iterations: 37
         Function evaluations: 77
Tmp Lattice Constants: [2.79358292]
Tmp Energy: -2.3113313024258195
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
         Current function value: -2.311331
         Iterations: 36
         Function evaluations: 77
Tmp Lattice Constants: [2.79358292]
Tmp Energy: -2.3113313024258226
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
         Current function value: -2.311331
         Iterations: 34
         Function evaluations: 74
Tmp Lattice Constants: [2.79358292]
Tmp Energy: -2.31133130242582
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
         Current function value: -2.311331
         Iterations: 32
         Function evaluations: 68
Tmp Lattice Constants: [2.79358293]
Tmp Energy: -2.311331302425818
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
         Current function value: -2.311331
         Iterations: 34
         Function evaluations: 71
Tmp Lattice Constants: [2.79358293]
Tmp Energy: -2.311331302425819
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.7935829150024807, 3.6495214378202174]
Optimization terminated successfully.
         Current function value: -2.312584
         Iterations: 73
         Function evaluations: 157
Tmp Lattice Constants: [2.78626219 4.58658939]
Tmp Energy: -2.312583553884255
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.7935829150024807, 3.8776165276839807]
Optimization terminated successfully.
         Current function value: -2.312584
         Iterations: 69
         Function evaluations: 143
Tmp Lattice Constants: [2.78626219 4.58658942]
Tmp Energy: -2.3125835538842545
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.7935829150024807, 4.105711617547744]
Optimization terminated successfully.
         Current function value: -2.312584
         Iterations: 75
         Function evaluations: 150
Tmp Lattice Constants: [2.78626219 4.58658939]
Tmp Energy: -2.312583553884256
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.7935829150024807, 4.333806707411507]
Optimization terminated successfully.
         Current function value: -2.312584
         Iterations: 74
         Function evaluations: 151
Tmp Lattice Constants: [2.7862622 4.5865894]
Tmp Energy: -2.312583553884255
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.7935829150024807, 4.561901797275271]
Optimization terminated successfully.
         Current function value: -2.312584
         Iterations: 68
         Function evaluations: 142
Tmp Lattice Constants: [2.78626219 4.5865894 ]
Tmp Energy: -2.3125835538842567
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.7935829150024807, 4.7899968871390355]
Optimization terminated successfully.
         Current function value: -2.312584
         Iterations: 67
         Function evaluations: 149
Tmp Lattice Constants: [2.78626219 4.58658941]
Tmp Energy: -2.3125835538842554
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.7935829150024807, 5.018091977002799]
Optimization terminated successfully.
         Current function value: -2.312584
         Iterations: 77
         Function evaluations: 162
Tmp Lattice Constants: [2.78626219 4.58658938]
Tmp Energy: -2.312583553884256
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.7935829150024807, 5.246187066866562]
Optimization terminated successfully.
         Current function value: -2.312584
         Iterations: 82
         Function evaluations: 172
Tmp Lattice Constants: [2.78626219 4.5865894 ]
Tmp Energy: -2.312583553884255
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.7935829150024807, 5.474282156730325]
Optimization terminated successfully.
         Current function value: -2.198907
         Iterations: 69
         Function evaluations: 147
Tmp Lattice Constants: [2.98903316 5.38391669]
Tmp Energy: -2.198906789661335
--------
Lattice Constants: [2.78626219 4.5865894 ]
Energy: -2.3125835538842567
Lattice Constants: 2.786262187460933 4.586589396668292
[
    {
        "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" 
        "instance-id" 1 
        "cauchy-stress" {
            "source-value" [
                0.0 
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            "source-unit" "GPa"
        } 
        "short-name" {
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        "a" {
            "source-value" 2.786262187460933 
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        } 
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            "source-value" 4.586589396668292 
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        } 
        "space-group" {
            "source-value" "P63/mmc"
        } 
        "temperature" {
            "source-value" 0 
            "source-unit" "K"
        }
    } 
    {
        "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-free-energy-hexagonal-crystal" 
        "instance-id" 2 
        "cohesive-free-energy" {
            "source-value" 2.3125835538842567 
            "source-unit" "eV"
        } 
        "short-name" {
            "source-value" [
                "hcp"
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        } 
        "species" {
            "source-value" [
                "Co" 
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        "a" {
            "source-value" 2.786262187460933 
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            "source-value" 4.586589396668292 
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        "space-group" {
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    }
]