Element = Lattice = Model = Element: Rb Lattice: hcp Model: Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Rb__MO_754498969542_001 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: -0.773465 Iterations: 39 Function evaluations: 84 Tmp Lattice Constants: [ 5.18926256] Tmp Energy: -0.773465127419 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.25] Optimization terminated successfully. Current function value: -0.773465 Iterations: 39 Function evaluations: 85 Tmp Lattice Constants: [ 5.18926244] Tmp Energy: -0.773465127419 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.5] Optimization terminated successfully. Current function value: -0.773465 Iterations: 40 Function evaluations: 85 Tmp Lattice Constants: [ 5.18926245] Tmp Energy: -0.773465127419 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.75] Optimization terminated successfully. Current function value: -0.773465 Iterations: 39 Function evaluations: 83 Tmp Lattice Constants: [ 5.18926251] Tmp Energy: -0.773465127419 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [3.0] Optimization terminated successfully. Current function value: -0.773465 Iterations: 38 Function evaluations: 80 Tmp Lattice Constants: [ 5.18926243] Tmp Energy: -0.773465127419 -------- ERR: Lower energy is obtained by separating atoms beyond cutoff. ERR: System Collapsed. Structure Maybe Unstable.