Element = Lattice = Model = Element: Ag
Lattice: hcp
Model: EAM_Dynamo_Wu_Trinkle_CuAg__MO_270337113239_004
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: -2.781516
Iterations: 37
Function evaluations: 78
Tmp Lattice Constants: [2.91653568]
Tmp Energy: -2.78151601831
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -2.781516
Iterations: 36
Function evaluations: 78
Tmp Lattice Constants: [2.91653565]
Tmp Energy: -2.78151601831
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -2.781516
Iterations: 35
Function evaluations: 75
Tmp Lattice Constants: [2.91653571]
Tmp Energy: -2.78151601831
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -2.781516
Iterations: 32
Function evaluations: 70
Tmp Lattice Constants: [2.91653569]
Tmp Energy: -2.78151601831
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -2.781516
Iterations: 34
Function evaluations: 73
Tmp Lattice Constants: [2.91653571]
Tmp Energy: -2.78151601831
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.916535679064694, 3.810146256176074]
Optimization terminated successfully.
Current function value: -2.794766
Iterations: 73
Function evaluations: 156
Tmp Lattice Constants: [2.85928564 4.91750946]
Tmp Energy: -2.79476625363
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.916535679064694, 4.048280397187079]
Optimization terminated successfully.
Current function value: -2.794766
Iterations: 78
Function evaluations: 164
Tmp Lattice Constants: [2.85928569 4.91750934]
Tmp Energy: -2.79476625363
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.916535679064694, 4.286414538198083]
Optimization terminated successfully.
Current function value: -2.794766
Iterations: 70
Function evaluations: 146
Tmp Lattice Constants: [2.8592856 4.9175094]
Tmp Energy: -2.79476625363
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.916535679064694, 4.524548679209087]
Optimization terminated successfully.
Current function value: -2.794766
Iterations: 68
Function evaluations: 143
Tmp Lattice Constants: [2.85928566 4.91750931]
Tmp Energy: -2.79476625363
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.916535679064694, 4.762682820220093]
Optimization terminated successfully.
Current function value: -2.794766
Iterations: 69
Function evaluations: 146
Tmp Lattice Constants: [2.85928564 4.9175094 ]
Tmp Energy: -2.79476625363
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.916535679064694, 5.000816961231098]
Optimization terminated successfully.
Current function value: -2.794766
Iterations: 69
Function evaluations: 148
Tmp Lattice Constants: [2.85928566 4.91750932]
Tmp Energy: -2.79476625363
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.916535679064694, 5.238951102242102]
Optimization terminated successfully.
Current function value: -2.794766
Iterations: 72
Function evaluations: 149
Tmp Lattice Constants: [2.85928565 4.91750937]
Tmp Energy: -2.79476625363
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.916535679064694, 5.477085243253106]
Optimization terminated successfully.
Current function value: -2.794766
Iterations: 78
Function evaluations: 162
Tmp Lattice Constants: [2.85928561 4.91750936]
Tmp Energy: -2.79476625363
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.916535679064694, 5.715219384264111]
Optimization terminated successfully.
Current function value: -2.794766
Iterations: 72
Function evaluations: 153
Tmp Lattice Constants: [2.85928564 4.91750931]
Tmp Energy: -2.79476625363
--------
Lattice Constants: [2.85928565 4.91750937]
Energy: -2.79476625363
Lattice Constants: 2.85928565146 4.91750936541
[
{
"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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"short-name" {
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