Element = Lattice = Model = Element: Si
Lattice: hcp
Model: Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_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: -3.953783
Iterations: 37
Function evaluations: 78
Tmp Lattice Constants: [2.72061542]
Tmp Energy: -3.9537829852585
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -3.953783
Iterations: 35
Function evaluations: 72
Tmp Lattice Constants: [2.72061542]
Tmp Energy: -3.953782985258499
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -3.953783
Iterations: 33
Function evaluations: 71
Tmp Lattice Constants: [2.72061542]
Tmp Energy: -3.9537829852585005
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -3.953783
Iterations: 32
Function evaluations: 70
Tmp Lattice Constants: [2.72061542]
Tmp Energy: -3.9537829852584996
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -3.953783
Iterations: 34
Function evaluations: 75
Tmp Lattice Constants: [2.72061541]
Tmp Energy: -3.9537829852585
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.720615418627858, 3.5541970997262404]
Optimization terminated successfully.
Current function value: -4.087147
Iterations: 73
Function evaluations: 159
Tmp Lattice Constants: [4.01762988 2.58991985]
Tmp Energy: -4.087147484804567
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.720615418627858, 3.7763344184591303]
Optimization terminated successfully.
Current function value: -3.954588
Iterations: 73
Function evaluations: 155
Tmp Lattice Constants: [2.71471827 4.46210861]
Tmp Energy: -3.9545876092982266
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.720615418627858, 3.9984717371920206]
Optimization terminated successfully.
Current function value: -3.954588
Iterations: 73
Function evaluations: 146
Tmp Lattice Constants: [2.71471827 4.46210862]
Tmp Energy: -3.954587609298225
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.720615418627858, 4.2206090559249105]
Optimization terminated successfully.
Current function value: -3.954588
Iterations: 67
Function evaluations: 145
Tmp Lattice Constants: [2.71471827 4.46210862]
Tmp Energy: -3.9545876092982253
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.720615418627858, 4.4427463746578]
Optimization terminated successfully.
Current function value: -3.954588
Iterations: 68
Function evaluations: 142
Tmp Lattice Constants: [2.71471827 4.46210861]
Tmp Energy: -3.9545876092982257
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.720615418627858, 4.66488369339069]
Optimization terminated successfully.
Current function value: -3.954588
Iterations: 68
Function evaluations: 142
Tmp Lattice Constants: [2.71471827 4.46210863]
Tmp Energy: -3.954587609298225
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.720615418627858, 4.887021012123581]
Optimization terminated successfully.
Current function value: -3.954588
Iterations: 75
Function evaluations: 163
Tmp Lattice Constants: [2.71471826 4.46210863]
Tmp Energy: -3.954587609298225
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.720615418627858, 5.10915833085647]
Optimization terminated successfully.
Current function value: -3.954588
Iterations: 82
Function evaluations: 169
Tmp Lattice Constants: [2.71471827 4.4621086 ]
Tmp Energy: -3.9545876092982257
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.720615418627858, 5.33129564958936]
Optimization terminated successfully.
Current function value: -3.360892
Iterations: 92
Function evaluations: 215
Tmp Lattice Constants: [2.60683522 6.18871588]
Tmp Energy: -3.360892235239189
--------
Lattice Constants: [4.01762988 2.58991985]
Energy: -4.087147484804567
Lattice Constants: 4.017629880164284 2.589919851070867
[
{
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"instance-id" 1
"cauchy-stress" {
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{
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