Element = Lattice = Model = Element: W
Lattice: hcp
Model: LennardJones612_UniversalShifted__MO_959249795837_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: -52.980817
         Iterations: 36
         Function evaluations: 77
Tmp Lattice Constants: [3.19942372]
Tmp Energy: -52.9808168224
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
         Current function value: -52.980817
         Iterations: 37
         Function evaluations: 80
Tmp Lattice Constants: [3.19942374]
Tmp Energy: -52.9808168224
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
         Current function value: -52.980817
         Iterations: 36
         Function evaluations: 78
Tmp Lattice Constants: [3.1994237]
Tmp Energy: -52.9808168224
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
         Current function value: -52.980817
         Iterations: 34
         Function evaluations: 73
Tmp Lattice Constants: [3.19942373]
Tmp Energy: -52.9808168224
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
         Current function value: -52.980817
         Iterations: 33
         Function evaluations: 73
Tmp Lattice Constants: [3.19942375]
Tmp Energy: -52.9808168224
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [3.199423737614415, 4.179709668321881]
Optimization terminated successfully.
         Current function value: -53.828740
         Iterations: 75
         Function evaluations: 156
Tmp Lattice Constants: [3.13565518 5.3932403 ]
Tmp Energy: -53.8287399958
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [3.199423737614415, 4.440941522591999]
Optimization terminated successfully.
         Current function value: -53.828740
         Iterations: 75
         Function evaluations: 155
Tmp Lattice Constants: [3.13565518 5.39324031]
Tmp Energy: -53.8287399958
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [3.199423737614415, 4.702173376862117]
Optimization terminated successfully.
         Current function value: -53.828740
         Iterations: 72
         Function evaluations: 150
Tmp Lattice Constants: [3.13565515 5.39324036]
Tmp Energy: -53.8287399958
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [3.199423737614415, 4.963405231132233]
Optimization terminated successfully.
         Current function value: -53.828740
         Iterations: 72
         Function evaluations: 156
Tmp Lattice Constants: [3.13565517 5.39324025]
Tmp Energy: -53.8287399958
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [3.199423737614415, 5.224637085402351]
Optimization terminated successfully.
         Current function value: -53.828740
         Iterations: 65
         Function evaluations: 139
Tmp Lattice Constants: [3.13565517 5.39324034]
Tmp Energy: -53.8287399958
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [3.199423737614415, 5.48586893967247]
Optimization terminated successfully.
         Current function value: -53.828740
         Iterations: 63
         Function evaluations: 142
Tmp Lattice Constants: [3.13565515 5.39324033]
Tmp Energy: -53.8287399958
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [3.199423737614415, 5.747100793942587]
Optimization terminated successfully.
         Current function value: -53.828740
         Iterations: 70
         Function evaluations: 151
Tmp Lattice Constants: [3.13565517 5.3932403 ]
Tmp Energy: -53.8287399958
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [3.199423737614415, 6.008332648212703]
Optimization terminated successfully.
         Current function value: -53.828740
         Iterations: 72
         Function evaluations: 153
Tmp Lattice Constants: [3.13565516 5.39324032]
Tmp Energy: -53.8287399958
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [3.199423737614415, 6.2695645024828215]
Optimization terminated successfully.
         Current function value: -53.828740
         Iterations: 67
         Function evaluations: 149
Tmp Lattice Constants: [3.13565516 5.39324028]
Tmp Energy: -53.8287399958
--------
Lattice Constants: [3.13565515 5.39324036]
Energy: -53.8287399958
Lattice Constants: 3.13565515212 5.39324035826
[
    {
        "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"
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            "source-value" 3.1356551521181943 
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            "source-value" "P63/mmc"
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        "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" 53.82873999582085 
            "source-unit" "eV"
        } 
        "short-name" {
            "source-value" [
                "hcp"
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        } 
        "species" {
            "source-value" [
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        "a" {
            "source-value" 3.1356551521181943 
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    }
]