Element = Lattice = Model = Element: Yb
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: -1.085842
Iterations: 38
Function evaluations: 82
Tmp Lattice Constants: [3.63740909]
Tmp Energy: -1.085842059274204
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 38
Function evaluations: 81
Tmp Lattice Constants: [3.6374091]
Tmp Energy: -1.0858420592742044
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 39
Function evaluations: 84
Tmp Lattice Constants: [3.63740914]
Tmp Energy: -1.0858420592742073
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 37
Function evaluations: 79
Tmp Lattice Constants: [3.63740908]
Tmp Energy: -1.0858420592742077
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 35
Function evaluations: 76
Tmp Lattice Constants: [3.63740911]
Tmp Energy: -1.085842059274206
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [3.637409082520755, 4.751891326901846]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 76
Function evaluations: 157
Tmp Lattice Constants: [3.63738492 5.93994319]
Tmp Energy: -1.085842061144752
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [3.637409082520755, 5.048884534833211]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 74
Function evaluations: 161
Tmp Lattice Constants: [3.63738491 5.93994326]
Tmp Energy: -1.0858420611447523
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [3.637409082520755, 5.345877742764577]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 75
Function evaluations: 156
Tmp Lattice Constants: [3.63738491 5.93994322]
Tmp Energy: -1.0858420611447526
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [3.637409082520755, 5.642870950695941]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 72
Function evaluations: 155
Tmp Lattice Constants: [3.63738492 5.93994312]
Tmp Energy: -1.0858420611447515
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [3.637409082520755, 5.939864158627307]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 66
Function evaluations: 139
Tmp Lattice Constants: [3.63738492 5.93994322]
Tmp Energy: -1.0858420611447532
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [3.637409082520755, 6.236857366558673]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 75
Function evaluations: 157
Tmp Lattice Constants: [3.63738493 5.93994322]
Tmp Energy: -1.085842061144751
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [3.637409082520755, 6.533850574490038]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 74
Function evaluations: 157
Tmp Lattice Constants: [3.63738496 5.93994314]
Tmp Energy: -1.0858420611447492
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [3.637409082520755, 6.830843782421402]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 68
Function evaluations: 151
Tmp Lattice Constants: [3.6373849 5.93994325]
Tmp Energy: -1.085842061144753
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [3.637409082520755, 7.127836990352768]
Optimization terminated successfully.
Current function value: -1.085842
Iterations: 71
Function evaluations: 157
Tmp Lattice Constants: [3.63738489 5.93994312]
Tmp Energy: -1.085842061144749
--------
Lattice Constants: [3.63738492 5.93994322]
Energy: -1.0858420611447532
Lattice Constants: 3.637384921528128 5.939943219349086
[
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{
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