Element = Lattice = Model = Element: Np
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_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: -24.291800
         Iterations: 37
         Function evaluations: 77
Tmp Lattice Constants: [3.69576991]
Tmp Energy: -24.291799990412112
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 38
         Function evaluations: 83
Tmp Lattice Constants: [3.69576991]
Tmp Energy: -24.2917999904121
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 40
         Function evaluations: 87
Tmp Lattice Constants: [3.69576992]
Tmp Energy: -24.291799990412226
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 36
         Function evaluations: 77
Tmp Lattice Constants: [3.69576992]
Tmp Energy: -24.29179999041213
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 35
         Function evaluations: 77
Tmp Lattice Constants: [3.69576994]
Tmp Energy: -24.291799990412077
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [3.6957699172198772, 4.82813360208892]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 72
         Function evaluations: 156
Tmp Lattice Constants: [3.69574534 6.03524719]
Tmp Energy: -24.29180003225877
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [3.6957699172198772, 5.129891952219477]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 74
         Function evaluations: 161
Tmp Lattice Constants: [3.69574537 6.03524719]
Tmp Energy: -24.29180003225877
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [3.6957699172198772, 5.431650302350035]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 74
         Function evaluations: 153
Tmp Lattice Constants: [3.69574534 6.03524726]
Tmp Energy: -24.29180003225882
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [3.6957699172198772, 5.733408652480592]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 71
         Function evaluations: 156
Tmp Lattice Constants: [3.69574532 6.03524729]
Tmp Energy: -24.291800032258795
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [3.6957699172198772, 6.03516700261115]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 65
         Function evaluations: 141
Tmp Lattice Constants: [3.69574534 6.03524729]
Tmp Energy: -24.291800032258763
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [3.6957699172198772, 6.336925352741708]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 73
         Function evaluations: 151
Tmp Lattice Constants: [3.69574532 6.03524734]
Tmp Energy: -24.291800032258845
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [3.6957699172198772, 6.638683702872266]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 72
         Function evaluations: 157
Tmp Lattice Constants: [3.69574533 6.03524734]
Tmp Energy: -24.291800032258777
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [3.6957699172198772, 6.940442053002822]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 79
         Function evaluations: 166
Tmp Lattice Constants: [3.69574532 6.03524723]
Tmp Energy: -24.29180003225876
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [3.6957699172198772, 7.2422004031333795]
Optimization terminated successfully.
         Current function value: -24.291800
         Iterations: 77
         Function evaluations: 163
Tmp Lattice Constants: [3.69574537 6.03524723]
Tmp Energy: -24.291800032258823
--------
Lattice Constants: [3.69574532 6.03524734]
Energy: -24.291800032258845
Lattice Constants: 3.695745324630734 6.035247335514167
[
    {
        "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" 24.291800032258845 
            "source-unit" "eV"
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        "short-name" {
            "source-value" [
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            "source-value" 3.695745324630734 
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]