Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_Landa_Wynblatt_AlPb__MO_699137396381_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: -3.279860
Iterations: 36
Function evaluations: 78
Tmp Lattice Constants: [2.8779887]
Tmp Energy: -3.27986003967
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -3.279860
Iterations: 35
Function evaluations: 77
Tmp Lattice Constants: [2.8779886]
Tmp Energy: -3.27986003967
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -3.279860
Iterations: 34
Function evaluations: 75
Tmp Lattice Constants: [2.87798868]
Tmp Energy: -3.27986003967
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -3.279860
Iterations: 33
Function evaluations: 73
Tmp Lattice Constants: [2.87798863]
Tmp Energy: -3.27986003967
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -3.279860
Iterations: 34
Function evaluations: 72
Tmp Lattice Constants: [2.87798862]
Tmp Energy: -3.27986003967
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.8779886324889956, 3.759788605401803]
Optimization terminated successfully.
Current function value: -3.302615
Iterations: 74
Function evaluations: 158
Tmp Lattice Constants: [2.79484505 4.96719568]
Tmp Energy: -3.30261546043
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.8779886324889956, 3.994775393239415]
Optimization terminated successfully.
Current function value: -3.302615
Iterations: 72
Function evaluations: 160
Tmp Lattice Constants: [2.79484504 4.96719554]
Tmp Energy: -3.30261546043
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.8779886324889956, 4.229762181077028]
Optimization terminated successfully.
Current function value: -3.302615
Iterations: 75
Function evaluations: 158
Tmp Lattice Constants: [2.79484506 4.96719543]
Tmp Energy: -3.30261546043
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.8779886324889956, 4.46474896891464]
Optimization terminated successfully.
Current function value: -3.302615
Iterations: 71
Function evaluations: 152
Tmp Lattice Constants: [2.79484505 4.9671955 ]
Tmp Energy: -3.30261546043
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.8779886324889956, 4.699735756752253]
Optimization terminated successfully.
Current function value: -3.302615
Iterations: 70
Function evaluations: 150
Tmp Lattice Constants: [2.79484504 4.96719561]
Tmp Energy: -3.30261546043
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.8779886324889956, 4.934722544589866]
Optimization terminated successfully.
Current function value: -3.302615
Iterations: 66
Function evaluations: 143
Tmp Lattice Constants: [2.79484501 4.96719554]
Tmp Energy: -3.30261546043
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.8779886324889956, 5.169709332427479]
Optimization terminated successfully.
Current function value: -3.302615
Iterations: 70
Function evaluations: 150
Tmp Lattice Constants: [2.79484508 4.96719539]
Tmp Energy: -3.30261546043
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.8779886324889956, 5.404696120265091]
Optimization terminated successfully.
Current function value: -3.302615
Iterations: 68
Function evaluations: 143
Tmp Lattice Constants: [2.79484506 4.96719556]
Tmp Energy: -3.30261546043
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.8779886324889956, 5.639682908102704]
Optimization terminated successfully.
Current function value: -3.302615
Iterations: 71
Function evaluations: 161
Tmp Lattice Constants: [2.79484507 4.96719567]
Tmp Energy: -3.30261546043
--------
Lattice Constants: [2.79484504 4.96719554]
Energy: -3.30261546043
Lattice Constants: 2.7948450414 4.96719553927
[
{
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"instance-id" 1
"cauchy-stress" {
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{
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"cohesive-free-energy" {
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"short-name" {
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