Element = Lattice = Model = Element: Pb
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: -7.152860
Iterations: 35
Function evaluations: 74
Tmp Lattice Constants: [2.83989869]
Tmp Energy: -7.152859840493726
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 35
Function evaluations: 76
Tmp Lattice Constants: [2.8398987]
Tmp Energy: -7.1528598404937
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 34
Function evaluations: 71
Tmp Lattice Constants: [2.8398987]
Tmp Energy: -7.152859840493692
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 33
Function evaluations: 72
Tmp Lattice Constants: [2.8398987]
Tmp Energy: -7.152859840493679
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 35
Function evaluations: 77
Tmp Lattice Constants: [2.8398987]
Tmp Energy: -7.15285984049369
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.8398986873216945, 3.710028109406881]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 70
Function evaluations: 150
Tmp Lattice Constants: [2.83987979 4.63759682]
Tmp Energy: -7.1528598528157
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.8398986873216945, 3.941904866244811]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 67
Function evaluations: 146
Tmp Lattice Constants: [2.83987979 4.63759683]
Tmp Energy: -7.152859852815719
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.8398986873216945, 4.173781623082742]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 74
Function evaluations: 154
Tmp Lattice Constants: [2.8398798 4.63759677]
Tmp Energy: -7.152859852815676
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.8398986873216945, 4.405658379920672]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 71
Function evaluations: 155
Tmp Lattice Constants: [2.83987978 4.63759685]
Tmp Energy: -7.152859852815705
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.8398986873216945, 4.6375351367586015]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 70
Function evaluations: 152
Tmp Lattice Constants: [2.8398798 4.63759681]
Tmp Energy: -7.1528598528156895
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.8398986873216945, 4.869411893596531]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 79
Function evaluations: 161
Tmp Lattice Constants: [2.8398798 4.63759676]
Tmp Energy: -7.152859852815697
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.8398986873216945, 5.101288650434462]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 72
Function evaluations: 152
Tmp Lattice Constants: [2.83987978 4.6375968 ]
Tmp Energy: -7.152859852815708
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.8398986873216945, 5.333165407272391]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 75
Function evaluations: 161
Tmp Lattice Constants: [2.83987979 4.63759692]
Tmp Energy: -7.152859852815666
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.8398986873216945, 5.565042164110322]
Optimization terminated successfully.
Current function value: -7.152860
Iterations: 73
Function evaluations: 153
Tmp Lattice Constants: [2.83987978 4.63759674]
Tmp Energy: -7.1528598528156975
--------
Lattice Constants: [2.83987979 4.63759683]
Energy: -7.152859852815719
Lattice Constants: 2.8398797881662645 4.63759682752689
[
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