Element = Lattice = Model = Element: Rb Lattice: hcp Model: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Rb__MO_754498969542_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: -0.781347 Iterations: 40 Function evaluations: 85 Tmp Lattice Constants: [5.1859562] Tmp Energy: -0.7813473996845042 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.25] Optimization terminated successfully. Current function value: -0.781347 Iterations: 39 Function evaluations: 84 Tmp Lattice Constants: [5.18595622] Tmp Energy: -0.781347399684501 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.5] Optimization terminated successfully. Current function value: -0.781347 Iterations: 39 Function evaluations: 85 Tmp Lattice Constants: [5.18595627] Tmp Energy: -0.7813473996845027 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.75] Optimization terminated successfully. Current function value: -0.781347 Iterations: 40 Function evaluations: 85 Tmp Lattice Constants: [5.18595622] Tmp Energy: -0.7813473996845033 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [3.0] Optimization terminated successfully. Current function value: -0.781347 Iterations: 39 Function evaluations: 83 Tmp Lattice Constants: [5.18595622] Tmp Energy: -0.7813473996845038 -------- ERR: Lower energy is obtained by separating atoms beyond cutoff. ERR: System Collapsed. Structure Maybe Unstable.