Element = Lattice = Model = Element: S
Lattice: hcp
Model: Three_Body_Stillinger_Weber_CdTeZnSeHgS__MO_503261197030_001
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: -2.790205
Iterations: 37
Function evaluations: 79
Tmp Lattice Constants: [3.31008172]
Tmp Energy: -2.79020528439
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -2.790205
Iterations: 38
Function evaluations: 81
Tmp Lattice Constants: [3.31008173]
Tmp Energy: -2.79020528439
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -2.790205
Iterations: 36
Function evaluations: 76
Tmp Lattice Constants: [3.31008172]
Tmp Energy: -2.79020528439
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -2.790205
Iterations: 36
Function evaluations: 76
Tmp Lattice Constants: [3.31008173]
Tmp Energy: -2.79020528439
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -2.790205
Iterations: 33
Function evaluations: 68
Tmp Lattice Constants: [3.31008173]
Tmp Energy: -2.79020528439
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [3.310081726033241, 4.324272659035979]
Optimization terminated successfully.
Current function value: -2.796594
Iterations: 69
Function evaluations: 145
Tmp Lattice Constants: [3.28915998 5.47971349]
Tmp Energy: -2.79659358954
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [3.310081726033241, 4.594539700225728]
Optimization terminated successfully.
Current function value: -2.796594
Iterations: 72
Function evaluations: 147
Tmp Lattice Constants: [3.28915999 5.47971348]
Tmp Energy: -2.79659358954
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [3.310081726033241, 4.864806741415477]
Optimization terminated successfully.
Current function value: -2.796594
Iterations: 67
Function evaluations: 140
Tmp Lattice Constants: [3.28915998 5.47971353]
Tmp Energy: -2.79659358954
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [3.310081726033241, 5.135073782605225]
Optimization terminated successfully.
Current function value: -2.796594
Iterations: 68
Function evaluations: 145
Tmp Lattice Constants: [3.28915999 5.4797135 ]
Tmp Energy: -2.79659358954
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [3.310081726033241, 5.405340823794974]
Optimization terminated successfully.
Current function value: -2.796594
Iterations: 70
Function evaluations: 152
Tmp Lattice Constants: [3.28915998 5.47971351]
Tmp Energy: -2.79659358954
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [3.310081726033241, 5.675607864984723]
Optimization terminated successfully.
Current function value: -2.796594
Iterations: 75
Function evaluations: 150
Tmp Lattice Constants: [3.28915999 5.47971348]
Tmp Energy: -2.79659358954
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [3.310081726033241, 5.945874906174472]
Optimization terminated successfully.
Current function value: -2.796594
Iterations: 75
Function evaluations: 158
Tmp Lattice Constants: [3.28915999 5.47971351]
Tmp Energy: -2.79659358954
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [3.310081726033241, 6.21614194736422]
Optimization terminated successfully.
Current function value: -2.796594
Iterations: 76
Function evaluations: 160
Tmp Lattice Constants: [3.28915999 5.47971347]
Tmp Energy: -2.79659358954
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [3.310081726033241, 6.486408988553969]
Optimization terminated successfully.
Current function value: -2.796594
Iterations: 72
Function evaluations: 152
Tmp Lattice Constants: [3.28915998 5.47971351]
Tmp Energy: -2.79659358954
--------
Lattice Constants: [3.28915998 5.47971351]
Energy: -2.79659358954
Lattice Constants: 3.28915998259 5.47971350742
[
{
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"instance-id" 1
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