Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_NN_Johnson_1988_Cu__MO_887933271505_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: -3.540000
Iterations: 34
Function evaluations: 72
Tmp Lattice Constants: [2.55600001]
Tmp Energy: -3.540000000000011
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -3.540000
Iterations: 34
Function evaluations: 75
Tmp Lattice Constants: [2.55599998]
Tmp Energy: -3.540000000000006
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -3.540000
Iterations: 32
Function evaluations: 70
Tmp Lattice Constants: [2.55600001]
Tmp Energy: -3.5400000000000036
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -3.540000
Iterations: 33
Function evaluations: 70
Tmp Lattice Constants: [2.556]
Tmp Energy: -3.5400000000000094
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -3.540000
Iterations: 36
Function evaluations: 79
Tmp Lattice Constants: [2.55599999]
Tmp Energy: -3.5400000000000045
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.556000006198884, 3.3391444254602174]
Optimization terminated successfully.
Current function value: -3.666145
Iterations: 84
Function evaluations: 164
Tmp Lattice Constants: [2.47454346 4.04253036]
Tmp Energy: -3.6661447946865677
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.556000006198884, 3.5478409520514806]
Optimization terminated successfully.
Current function value: -3.666146
Iterations: 156
Function evaluations: 298
Tmp Lattice Constants: [2.47487374 4.04145187]
Tmp Energy: -3.666145658092128
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.556000006198884, 3.7565374786427443]
Optimization terminated successfully.
Current function value: -3.666146
Iterations: 150
Function evaluations: 290
Tmp Lattice Constants: [2.47487371 4.04145195]
Tmp Energy: -3.6661456580921272
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.556000006198884, 3.9652340052340076]
Optimization terminated successfully.
Current function value: -3.666146
Iterations: 179
Function evaluations: 355
Tmp Lattice Constants: [2.47487188 4.04145795]
Tmp Energy: -3.6661456580647775
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.556000006198884, 4.173930531825271]
Optimization terminated successfully.
Current function value: -3.540000
Iterations: 66
Function evaluations: 142
Tmp Lattice Constants: [2.55600001 4.17393053]
Tmp Energy: -3.5400000000000027
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.556000006198884, 4.382627058416535]
Optimization terminated successfully.
Current function value: -3.540000
Iterations: 69
Function evaluations: 147
Tmp Lattice Constants: [2.55599999 4.17393054]
Tmp Energy: -3.540000000000004
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.556000006198884, 4.591323585007799]
Optimization terminated successfully.
Current function value: -3.540000
Iterations: 71
Function evaluations: 153
Tmp Lattice Constants: [2.55599999 4.1739305 ]
Tmp Energy: -3.540000000000005
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.556000006198884, 4.8000201115990615]
Optimization terminated successfully.
Current function value: -3.666146
Iterations: 157
Function evaluations: 323
Tmp Lattice Constants: [2.47487374 4.04145188]
Tmp Energy: -3.6661456580921303
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.556000006198884, 5.008716638190325]
Optimization terminated successfully.
Current function value: -3.540000
Iterations: 74
Function evaluations: 154
Tmp Lattice Constants: [2.55599999 4.17393052]
Tmp Energy: -3.5400000000000054
--------
Lattice Constants: [2.47487374 4.04145188]
Energy: -3.6661456580921303
Lattice Constants: 2.4748737359404758 4.041451878489211
[
{
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"instance-id" 1
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{
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]