Element = Lattice = Model = Element: Co
Lattice: hcp
Model: IMD_EAM_Schopf_AlNiCo_A__MO_122703700223_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: -26.856193
Iterations: 36
Function evaluations: 78
Tmp Lattice Constants: [ 1.41989882]
Tmp Energy: -26.8561931631
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -26.856193
Iterations: 37
Function evaluations: 77
Tmp Lattice Constants: [ 1.41989882]
Tmp Energy: -26.8561931631
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -3.873695
Iterations: 35
Function evaluations: 77
Tmp Lattice Constants: [ 2.71362516]
Tmp Energy: -3.8736952139
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -3.873695
Iterations: 33
Function evaluations: 71
Tmp Lattice Constants: [ 2.71362515]
Tmp Energy: -3.8736952139
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -3.873695
Iterations: 36
Function evaluations: 78
Tmp Lattice Constants: [ 2.71362515]
Tmp Energy: -3.8736952139
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [1.4198988197371356, 1.8549480505258957]
Optimization terminated successfully.
Current function value: -27.004058
Iterations: 72
Function evaluations: 155
Tmp Lattice Constants: [ 1.40207852 2.37408671]
Tmp Energy: -27.0040579307
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [1.4198988197371356, 1.9708823036837639]
Optimization terminated successfully.
Current function value: -27.004058
Iterations: 80
Function evaluations: 162
Tmp Lattice Constants: [ 1.40207852 2.37408672]
Tmp Energy: -27.0040579307
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [1.4198988197371356, 2.0868165568416326]
Optimization terminated successfully.
Current function value: -27.004058
Iterations: 70
Function evaluations: 149
Tmp Lattice Constants: [ 1.40207854 2.37408674]
Tmp Energy: -27.0040579307
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [1.4198988197371356, 2.2027508099995008]
Optimization terminated successfully.
Current function value: -27.004058
Iterations: 68
Function evaluations: 144
Tmp Lattice Constants: [ 1.40207855 2.37408681]
Tmp Energy: -27.0040579307
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [1.4198988197371356, 2.3186850631573694]
Optimization terminated successfully.
Current function value: -27.004058
Iterations: 70
Function evaluations: 152
Tmp Lattice Constants: [ 1.40207854 2.37408668]
Tmp Energy: -27.0040579307
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [1.4198988197371356, 2.4346193163152381]
Optimization terminated successfully.
Current function value: -27.004058
Iterations: 66
Function evaluations: 138
Tmp Lattice Constants: [ 1.40207851 2.37408673]
Tmp Energy: -27.0040579307
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [1.4198988197371356, 2.5505535694731067]
Optimization terminated successfully.
Current function value: -27.004058
Iterations: 69
Function evaluations: 154
Tmp Lattice Constants: [ 1.40207855 2.37408672]
Tmp Energy: -27.0040579307
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [1.4198988197371356, 2.6664878226309745]
Optimization terminated successfully.
Current function value: -27.004058
Iterations: 74
Function evaluations: 153
Tmp Lattice Constants: [ 1.40207853 2.37408674]
Tmp Energy: -27.0040579307
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [1.4198988197371356, 2.7824220757888432]
Optimization terminated successfully.
Current function value: -27.004058
Iterations: 70
Function evaluations: 149
Tmp Lattice Constants: [ 1.40207855 2.37408673]
Tmp Energy: -27.0040579307
--------
Lattice Constants: [ 1.40207852 2.37408672]
Energy: -27.0040579307
Lattice Constants: 1.40207851689 2.37408672174
[
{
"property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt"
"instance-id" 1
"cauchy-stress" {
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{
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"instance-id" 2
"cohesive-free-energy" {
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