Element = Lattice = Model = Element: Au
Lattice: hcp
Model: Morse_EIP_GuthikondaElliott_2011_AuCd__MO_703849496106_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: -3.651373
Iterations: 38
Function evaluations: 82
Tmp Lattice Constants: [2.87082702]
Tmp Energy: -3.651373235213508
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -3.651373
Iterations: 36
Function evaluations: 77
Tmp Lattice Constants: [2.87082698]
Tmp Energy: -3.6513732352134975
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -3.651373
Iterations: 34
Function evaluations: 74
Tmp Lattice Constants: [2.87082699]
Tmp Energy: -3.6513732352135135
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -3.651373
Iterations: 33
Function evaluations: 70
Tmp Lattice Constants: [2.87082701]
Tmp Energy: -3.651373235213528
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -3.651373
Iterations: 33
Function evaluations: 72
Tmp Lattice Constants: [2.87082701]
Tmp Energy: -3.6513732352135198
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.8708270139992234, 3.7504327061845104]
Optimization terminated successfully.
Current function value: -3.651519
Iterations: 76
Function evaluations: 159
Tmp Lattice Constants: [2.87451785 4.67554272]
Tmp Energy: -3.651519143578824
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.8708270139992234, 3.984834750321042]
Optimization terminated successfully.
Current function value: -3.651519
Iterations: 67
Function evaluations: 145
Tmp Lattice Constants: [2.87451784 4.67554283]
Tmp Energy: -3.6515191435788354
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.8708270139992234, 4.219236794457574]
Optimization terminated successfully.
Current function value: -3.651519
Iterations: 72
Function evaluations: 150
Tmp Lattice Constants: [2.87451785 4.67554281]
Tmp Energy: -3.6515191435788377
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.8708270139992234, 4.453638838594106]
Optimization terminated successfully.
Current function value: -3.651519
Iterations: 70
Function evaluations: 144
Tmp Lattice Constants: [2.87451786 4.67554272]
Tmp Energy: -3.651519143578864
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.8708270139992234, 4.688040882730638]
Optimization terminated successfully.
Current function value: -3.651519
Iterations: 68
Function evaluations: 149
Tmp Lattice Constants: [2.87451786 4.67554296]
Tmp Energy: -3.6515191435788283
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.8708270139992234, 4.92244292686717]
Optimization terminated successfully.
Current function value: -3.651519
Iterations: 74
Function evaluations: 153
Tmp Lattice Constants: [2.87451786 4.6755429 ]
Tmp Energy: -3.6515191435788426
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.8708270139992234, 5.156844971003702]
Optimization terminated successfully.
Current function value: -3.651519
Iterations: 77
Function evaluations: 164
Tmp Lattice Constants: [2.87451785 4.67554286]
Tmp Energy: -3.6515191435788323
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.8708270139992234, 5.391247015140233]
Optimization terminated successfully.
Current function value: -3.651519
Iterations: 75
Function evaluations: 163
Tmp Lattice Constants: [2.87451785 4.67554281]
Tmp Energy: -3.6515191435788266
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.8708270139992234, 5.625649059276765]
Optimization terminated successfully.
Current function value: -3.651519
Iterations: 79
Function evaluations: 163
Tmp Lattice Constants: [2.87451783 4.67554276]
Tmp Energy: -3.651519143578848
--------
Lattice Constants: [2.87451786 4.67554272]
Energy: -3.651519143578864
Lattice Constants: 2.874517863848411 4.675542715811768
[
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