Element = Lattice = Model = Element: C
Lattice: hcp
Model: Tersoff_LAMMPS_Tersoff_PRL61_1988_C__MO_579868029681_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: -3.332581
Iterations: 31
Function evaluations: 65
Tmp Lattice Constants: [1.95407567]
Tmp Energy: -3.33258134281
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -3.332581
Iterations: 34
Function evaluations: 73
Tmp Lattice Constants: [1.95407567]
Tmp Energy: -3.33258134281
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: 0.000000
Iterations: 32
Function evaluations: 95
Tmp Lattice Constants: [2.5]
Tmp Energy: 0.0
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: 0.000000
Iterations: 32
Function evaluations: 95
Tmp Lattice Constants: [2.75]
Tmp Energy: 0.0
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: 0.000000
Iterations: 32
Function evaluations: 95
Tmp Lattice Constants: [3.]
Tmp Energy: 0.0
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [1.9540756702423094, 2.5527937658030404]
Optimization terminated successfully.
Current function value: -3.757585
Iterations: 75
Function evaluations: 163
Tmp Lattice Constants: [2.23763274 2.95060842]
Tmp Energy: -3.75758476435
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [1.9540756702423094, 2.7123433761657303]
Optimization terminated successfully.
Current function value: -3.757585
Iterations: 74
Function evaluations: 159
Tmp Lattice Constants: [2.23763275 2.95060841]
Tmp Energy: -3.75758476435
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [1.9540756702423094, 2.8718929865284206]
Optimization terminated successfully.
Current function value: -3.757585
Iterations: 67
Function evaluations: 145
Tmp Lattice Constants: [2.23763277 2.95060838]
Tmp Energy: -3.75758476435
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [1.9540756702423094, 3.03144259689111]
Optimization terminated successfully.
Current function value: -3.434164
Iterations: 72
Function evaluations: 152
Tmp Lattice Constants: [1.90323136 3.3031245 ]
Tmp Energy: -3.43416408486
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [1.9540756702423094, 3.1909922072538004]
Optimization terminated successfully.
Current function value: -3.434164
Iterations: 66
Function evaluations: 139
Tmp Lattice Constants: [1.90323136 3.30312451]
Tmp Energy: -3.43416408486
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [1.9540756702423094, 3.3505418176164907]
Optimization terminated successfully.
Current function value: -3.434164
Iterations: 75
Function evaluations: 157
Tmp Lattice Constants: [1.90323136 3.3031245 ]
Tmp Energy: -3.43416408486
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [1.9540756702423094, 3.5100914279791806]
Optimization terminated successfully.
Current function value: -3.434164
Iterations: 76
Function evaluations: 156
Tmp Lattice Constants: [1.90323135 3.30312452]
Tmp Energy: -3.43416408486
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [1.9540756702423094, 3.66964103834187]
Optimization terminated successfully.
Current function value: -3.434164
Iterations: 82
Function evaluations: 172
Tmp Lattice Constants: [1.90323135 3.30312452]
Tmp Energy: -3.43416408486
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [1.9540756702423094, 3.8291906487045604]
Optimization terminated successfully.
Current function value: -3.434164
Iterations: 85
Function evaluations: 171
Tmp Lattice Constants: [1.90323136 3.30312449]
Tmp Energy: -3.43416408486
--------
Lattice Constants: [2.23763275 2.95060841]
Energy: -3.75758476435
Lattice Constants: 2.23763275208 2.95060840533
[
{
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"instance-id" 1
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{
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