Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_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: -3.936340
Iterations: 34
Function evaluations: 73
Tmp Lattice Constants: [2.5116672]
Tmp Energy: -3.936339687867246
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -3.936340
Iterations: 34
Function evaluations: 74
Tmp Lattice Constants: [2.5116672]
Tmp Energy: -3.936339687867254
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -3.936340
Iterations: 33
Function evaluations: 69
Tmp Lattice Constants: [2.51166721]
Tmp Energy: -3.9363396878672448
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -3.936340
Iterations: 34
Function evaluations: 74
Tmp Lattice Constants: [2.51166719]
Tmp Energy: -3.9363396878672416
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -3.936340
Iterations: 35
Function evaluations: 74
Tmp Lattice Constants: [2.51166721]
Tmp Energy: -3.9363396878672483
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.511667202459649, 3.281228293178576]
Optimization terminated successfully.
Current function value: -3.936460
Iterations: 70
Function evaluations: 153
Tmp Lattice Constants: [2.51502414 4.09047072]
Tmp Energy: -3.9364600647248333
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.511667202459649, 3.486305061502237]
Optimization terminated successfully.
Current function value: -3.936460
Iterations: 68
Function evaluations: 145
Tmp Lattice Constants: [2.51502412 4.09047072]
Tmp Energy: -3.936460064724837
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.511667202459649, 3.691381829825898]
Optimization terminated successfully.
Current function value: -3.936460
Iterations: 70
Function evaluations: 147
Tmp Lattice Constants: [2.5150241 4.09047066]
Tmp Energy: -3.9364600647248356
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.511667202459649, 3.8964585981495587]
Optimization terminated successfully.
Current function value: -3.936460
Iterations: 68
Function evaluations: 143
Tmp Lattice Constants: [2.51502415 4.09047067]
Tmp Energy: -3.9364600647248325
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.511667202459649, 4.10153536647322]
Optimization terminated successfully.
Current function value: -3.936460
Iterations: 71
Function evaluations: 150
Tmp Lattice Constants: [2.51502415 4.09047067]
Tmp Energy: -3.9364600647248373
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.511667202459649, 4.3066121347968815]
Optimization terminated successfully.
Current function value: -3.936460
Iterations: 68
Function evaluations: 147
Tmp Lattice Constants: [2.51502413 4.09047064]
Tmp Energy: -3.9364600647248404
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.511667202459649, 4.511688903120542]
Optimization terminated successfully.
Current function value: -3.936460
Iterations: 75
Function evaluations: 154
Tmp Lattice Constants: [2.51502412 4.09047068]
Tmp Energy: -3.936460064724836
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.511667202459649, 4.716765671444202]
Optimization terminated successfully.
Current function value: -3.936460
Iterations: 75
Function evaluations: 160
Tmp Lattice Constants: [2.51502415 4.09047068]
Tmp Energy: -3.936460064724831
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.511667202459649, 4.921842439767864]
Optimization terminated successfully.
Current function value: -3.936460
Iterations: 72
Function evaluations: 158
Tmp Lattice Constants: [2.51502411 4.09047061]
Tmp Energy: -3.9364600647248382
--------
Lattice Constants: [2.51502413 4.09047064]
Energy: -3.9364600647248404
Lattice Constants: 2.5150241266540485 4.090470635934385
[
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"cauchy-stress" {
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{
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"cohesive-free-energy" {
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