Element = Lattice = Model = Element: Eu
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: -3.318440
         Iterations: 39
         Function evaluations: 83
Tmp Lattice Constants: [3.9104105]
Tmp Energy: -3.31844017787
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
         Current function value: -3.318440
         Iterations: 38
         Function evaluations: 81
Tmp Lattice Constants: [3.91041048]
Tmp Energy: -3.31844017787
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
         Current function value: -3.318440
         Iterations: 39
         Function evaluations: 83
Tmp Lattice Constants: [3.91041048]
Tmp Energy: -3.31844017787
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
         Current function value: -3.318440
         Iterations: 38
         Function evaluations: 84
Tmp Lattice Constants: [3.91041051]
Tmp Energy: -3.31844017787
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
         Current function value: -3.318440
         Iterations: 37
         Function evaluations: 79
Tmp Lattice Constants: [3.91041048]
Tmp Energy: -3.31844017787
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [3.910410476010296, 5.108538853898189]
Optimization terminated successfully.
         Current function value: -3.371550
         Iterations: 74
         Function evaluations: 156
Tmp Lattice Constants: [3.83247104 6.59174436]
Tmp Energy: -3.37154962963
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [3.910410476010296, 5.427822532266825]
Optimization terminated successfully.
         Current function value: -3.371550
         Iterations: 78
         Function evaluations: 161
Tmp Lattice Constants: [3.83247107 6.59174427]
Tmp Energy: -3.37154962963
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [3.910410476010296, 5.7471062106354625]
Optimization terminated successfully.
         Current function value: -3.371550
         Iterations: 71
         Function evaluations: 147
Tmp Lattice Constants: [3.83247104 6.59174437]
Tmp Energy: -3.37154962963
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [3.910410476010296, 6.066389889004099]
Optimization terminated successfully.
         Current function value: -3.371550
         Iterations: 68
         Function evaluations: 149
Tmp Lattice Constants: [3.83247102 6.59174443]
Tmp Energy: -3.37154962963
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [3.910410476010296, 6.385673567372736]
Optimization terminated successfully.
         Current function value: -3.371550
         Iterations: 72
         Function evaluations: 155
Tmp Lattice Constants: [3.83247106 6.59174435]
Tmp Energy: -3.37154962963
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [3.910410476010296, 6.704957245741373]
Optimization terminated successfully.
         Current function value: -3.371550
         Iterations: 66
         Function evaluations: 148
Tmp Lattice Constants: [3.83247104 6.59174434]
Tmp Energy: -3.37154962963
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [3.910410476010296, 7.0242409241100106]
Optimization terminated successfully.
         Current function value: -3.371550
         Iterations: 68
         Function evaluations: 150
Tmp Lattice Constants: [3.83247104 6.59174429]
Tmp Energy: -3.37154962963
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [3.910410476010296, 7.343524602478646]
Optimization terminated successfully.
         Current function value: -3.371550
         Iterations: 79
         Function evaluations: 167
Tmp Lattice Constants: [3.83247104 6.59174442]
Tmp Energy: -3.37154962963
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [3.910410476010296, 7.662808280847283]
Optimization terminated successfully.
         Current function value: -3.371550
         Iterations: 72
         Function evaluations: 157
Tmp Lattice Constants: [3.83247106 6.59174435]
Tmp Energy: -3.37154962963
--------
Lattice Constants: [3.83247104 6.59174442]
Energy: -3.37154962963
Lattice Constants: 3.83247103523 6.59174441531
[
    {
        "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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        "species" {
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        "a" {
            "source-value" 3.832471035234539 
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            "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" 3.3715496296333454 
            "source-unit" "eV"
        } 
        "short-name" {
            "source-value" [
                "hcp"
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        } 
        "species" {
            "source-value" [
                "Eu" 
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        "a" {
            "source-value" 3.832471035234539 
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        "space-group" {
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            "source-value" 0 
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    }
]