Element = Lattice = Model = Element: Rb Lattice: hcp Model: Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Rb__MO_908110223949_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: -0.890107 Iterations: 42 Function evaluations: 93 Tmp Lattice Constants: [5.00361362] Tmp Energy: -0.8901071632291502 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.25] Optimization terminated successfully. Current function value: -0.890107 Iterations: 40 Function evaluations: 86 Tmp Lattice Constants: [5.00361354] Tmp Energy: -0.8901071632291462 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.5] Optimization terminated successfully. Current function value: -0.890107 Iterations: 39 Function evaluations: 86 Tmp Lattice Constants: [5.00361341] Tmp Energy: -0.8901071632291454 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.75] Optimization terminated successfully. Current function value: -0.890107 Iterations: 38 Function evaluations: 85 Tmp Lattice Constants: [5.00361339] Tmp Energy: -0.8901071632291381 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [3.0] Optimization terminated successfully. Current function value: -0.890107 Iterations: 38 Function evaluations: 82 Tmp Lattice Constants: [5.00361349] Tmp Energy: -0.890107163229147 -------- ERR: Lower energy is obtained by separating atoms beyond cutoff. ERR: System Collapsed. Structure Maybe Unstable.