Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
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: -3.532371
Iterations: 35
Function evaluations: 75
Tmp Lattice Constants: [2.55377891]
Tmp Energy: -3.5323711882007114
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -3.532371
Iterations: 35
Function evaluations: 74
Tmp Lattice Constants: [2.55377889]
Tmp Energy: -3.5323711882007176
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -3.532371
Iterations: 34
Function evaluations: 73
Tmp Lattice Constants: [2.55377885]
Tmp Energy: -3.5323711882007065
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -3.532371
Iterations: 33
Function evaluations: 69
Tmp Lattice Constants: [2.55377889]
Tmp Energy: -3.532371188200721
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -3.532371
Iterations: 34
Function evaluations: 74
Tmp Lattice Constants: [2.55377887]
Tmp Energy: -3.5323711882007136
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.553778892382979, 3.336242774521756]
Optimization terminated successfully.
Current function value: -3.532398
Iterations: 70
Function evaluations: 156
Tmp Lattice Constants: [2.55604431 4.16233688]
Tmp Energy: -3.5323981378755334
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.553778892382979, 3.5447579479293654]
Optimization terminated successfully.
Current function value: -3.532398
Iterations: 73
Function evaluations: 158
Tmp Lattice Constants: [2.55604434 4.16233685]
Tmp Energy: -3.5323981378755276
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.553778892382979, 3.7532731213369757]
Optimization terminated successfully.
Current function value: -3.532398
Iterations: 73
Function evaluations: 153
Tmp Lattice Constants: [2.55604432 4.16233681]
Tmp Energy: -3.5323981378755254
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.553778892382979, 3.961788294744585]
Optimization terminated successfully.
Current function value: -3.532398
Iterations: 70
Function evaluations: 152
Tmp Lattice Constants: [2.5560443 4.1623368]
Tmp Energy: -3.5323981378755285
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.553778892382979, 4.170303468152195]
Optimization terminated successfully.
Current function value: -3.532398
Iterations: 67
Function evaluations: 144
Tmp Lattice Constants: [2.55604428 4.1623369 ]
Tmp Energy: -3.5323981378755276
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.553778892382979, 4.378818641559805]
Optimization terminated successfully.
Current function value: -3.532398
Iterations: 65
Function evaluations: 141
Tmp Lattice Constants: [2.55604437 4.16233678]
Tmp Energy: -3.5323981378755174
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.553778892382979, 4.5873338149674145]
Optimization terminated successfully.
Current function value: -3.532398
Iterations: 73
Function evaluations: 154
Tmp Lattice Constants: [2.55604433 4.16233684]
Tmp Energy: -3.5323981378755236
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.553778892382979, 4.795848988375024]
Optimization terminated successfully.
Current function value: -3.532398
Iterations: 72
Function evaluations: 148
Tmp Lattice Constants: [2.55604431 4.16233685]
Tmp Energy: -3.532398137875533
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.553778892382979, 5.004364161782633]
Optimization terminated successfully.
Current function value: -3.532398
Iterations: 75
Function evaluations: 162
Tmp Lattice Constants: [2.55604432 4.16233683]
Tmp Energy: -3.5323981378755263
--------
Lattice Constants: [2.55604431 4.16233688]
Energy: -3.5323981378755334
Lattice Constants: 2.5560443060809486 4.162336878065282
[
{
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"instance-id" 1
"cauchy-stress" {
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{
"property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-free-energy-hexagonal-crystal"
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"cohesive-free-energy" {
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"short-name" {
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