Element = Lattice = Model = Element: Cd
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: -0.291343
         Iterations: 35
         Function evaluations: 77
Tmp Lattice Constants: [2.84393592]
Tmp Energy: -0.291343046413
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
         Current function value: -0.291343
         Iterations: 35
         Function evaluations: 77
Tmp Lattice Constants: [2.84393591]
Tmp Energy: -0.291343046413
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
         Current function value: -0.291343
         Iterations: 34
         Function evaluations: 72
Tmp Lattice Constants: [2.84393591]
Tmp Energy: -0.291343046413
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
         Current function value: -0.291343
         Iterations: 33
         Function evaluations: 72
Tmp Lattice Constants: [2.84393592]
Tmp Energy: -0.291343046413
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
         Current function value: -0.291343
         Iterations: 33
         Function evaluations: 71
Tmp Lattice Constants: [2.84393592]
Tmp Energy: -0.291343046413
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.843935922905803, 3.715302331888201]
Optimization terminated successfully.
         Current function value: -0.296006
         Iterations: 75
         Function evaluations: 154
Tmp Lattice Constants: [2.78725266 4.79399758]
Tmp Energy: -0.296005796808
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.843935922905803, 3.947508727631213]
Optimization terminated successfully.
         Current function value: -0.296006
         Iterations: 75
         Function evaluations: 158
Tmp Lattice Constants: [2.78725266 4.79399759]
Tmp Energy: -0.296005796808
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.843935922905803, 4.179715123374226]
Optimization terminated successfully.
         Current function value: -0.296006
         Iterations: 72
         Function evaluations: 148
Tmp Lattice Constants: [2.78725265 4.79399765]
Tmp Energy: -0.296005796808
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.843935922905803, 4.411921519117238]
Optimization terminated successfully.
         Current function value: -0.296006
         Iterations: 69
         Function evaluations: 144
Tmp Lattice Constants: [2.78725266 4.79399765]
Tmp Energy: -0.296005796808
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.843935922905803, 4.644127914860251]
Optimization terminated successfully.
         Current function value: -0.296006
         Iterations: 66
         Function evaluations: 142
Tmp Lattice Constants: [2.78725265 4.79399763]
Tmp Energy: -0.296005796808
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.843935922905803, 4.876334310603264]
Optimization terminated successfully.
         Current function value: -0.296006
         Iterations: 63
         Function evaluations: 141
Tmp Lattice Constants: [2.78725267 4.79399758]
Tmp Energy: -0.296005796808
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.843935922905803, 5.108540706346276]
Optimization terminated successfully.
         Current function value: -0.296006
         Iterations: 76
         Function evaluations: 158
Tmp Lattice Constants: [2.78725267 4.79399762]
Tmp Energy: -0.296005796808
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.843935922905803, 5.340747102089288]
Optimization terminated successfully.
         Current function value: -0.296006
         Iterations: 69
         Function evaluations: 151
Tmp Lattice Constants: [2.78725266 4.79399764]
Tmp Energy: -0.296005796808
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.843935922905803, 5.572953497832301]
Optimization terminated successfully.
         Current function value: -0.296006
         Iterations: 77
         Function evaluations: 159
Tmp Lattice Constants: [2.78725267 4.79399765]
Tmp Energy: -0.296005796808
--------
Lattice Constants: [2.78725266 4.79399758]
Energy: -0.296005796808
Lattice Constants: 2.78725265704 4.79399758468
[
    {
        "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 
            "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" 0.2960057968076535 
            "source-unit" "eV"
        } 
        "short-name" {
            "source-value" [
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        "species" {
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]