Element = Lattice = Model = Element: Cd
Lattice: hcp
Model: EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_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: 10.013866
Iterations: 34
Function evaluations: 70
Tmp Lattice Constants: [2.2348204]
Tmp Energy: 10.013865982633828
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: 10.013866
Iterations: 35
Function evaluations: 73
Tmp Lattice Constants: [2.2348204]
Tmp Energy: 10.01386598263384
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -0.751636
Iterations: 36
Function evaluations: 80
Tmp Lattice Constants: [3.16688508]
Tmp Energy: -0.7516358653059986
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -0.751636
Iterations: 34
Function evaluations: 74
Tmp Lattice Constants: [3.16688511]
Tmp Energy: -0.7516358653059974
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -0.751636
Iterations: 34
Function evaluations: 74
Tmp Lattice Constants: [3.16688507]
Tmp Energy: -0.751635865305999
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [3.166885072365403, 4.13720133404385]
Optimization terminated successfully.
Current function value: -0.756033
Iterations: 72
Function evaluations: 159
Tmp Lattice Constants: [3.09054511 5.51624554]
Tmp Energy: -0.7560332963169857
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [3.166885072365403, 4.395776417421589]
Optimization terminated successfully.
Current function value: -0.756033
Iterations: 76
Function evaluations: 157
Tmp Lattice Constants: [3.09054513 5.51624553]
Tmp Energy: -0.7560332963169856
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [3.166885072365403, 4.65435150079933]
Optimization terminated successfully.
Current function value: -0.756033
Iterations: 79
Function evaluations: 166
Tmp Lattice Constants: [3.09054515 5.51624542]
Tmp Energy: -0.7560332963169857
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [3.166885072365403, 4.912926584177071]
Optimization terminated successfully.
Current function value: -0.756033
Iterations: 80
Function evaluations: 165
Tmp Lattice Constants: [3.09054512 5.51624553]
Tmp Energy: -0.7560332963169861
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [3.166885072365403, 5.1715016675548116]
Optimization terminated successfully.
Current function value: -0.756033
Iterations: 69
Function evaluations: 151
Tmp Lattice Constants: [3.09054517 5.51624535]
Tmp Energy: -0.7560332963169855
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [3.166885072365403, 5.430076750932552]
Optimization terminated successfully.
Current function value: -0.756033
Iterations: 78
Function evaluations: 171
Tmp Lattice Constants: [3.09054515 5.51624539]
Tmp Energy: -0.7560332963169858
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [3.166885072365403, 5.688651834310293]
Optimization terminated successfully.
Current function value: -0.756033
Iterations: 73
Function evaluations: 161
Tmp Lattice Constants: [3.09054513 5.5162454 ]
Tmp Energy: -0.7560332963169857
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [3.166885072365403, 5.947226917688033]
Optimization terminated successfully.
Current function value: -0.756033
Iterations: 74
Function evaluations: 160
Tmp Lattice Constants: [3.09054516 5.51624532]
Tmp Energy: -0.7560332963169852
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [3.166885072365403, 6.2058020010657735]
Optimization terminated successfully.
Current function value: -0.756033
Iterations: 78
Function evaluations: 159
Tmp Lattice Constants: [3.09054513 5.51624545]
Tmp Energy: -0.7560332963169859
--------
Lattice Constants: [3.09054512 5.51624553]
Energy: -0.7560332963169861
Lattice Constants: 3.0905451240746284 5.516245526383221
[
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"cauchy-stress" {
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{
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