Element = Lattice = Model = Element: I Lattice: hcp Model: Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000 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: -1.105963 Iterations: 39 Function evaluations: 83 Tmp Lattice Constants: [5.17618536] Tmp Energy: -1.105962985469384 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.25] Optimization terminated successfully. Current function value: -1.105963 Iterations: 40 Function evaluations: 85 Tmp Lattice Constants: [5.17618536] Tmp Energy: -1.1059629854693838 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.5] Optimization terminated successfully. Current function value: -1.105963 Iterations: 39 Function evaluations: 86 Tmp Lattice Constants: [5.17618537] Tmp Energy: -1.1059629854693833 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.75] Optimization terminated successfully. Current function value: -1.105963 Iterations: 39 Function evaluations: 86 Tmp Lattice Constants: [5.17618533] Tmp Energy: -1.1059629854693835 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [3.0] Optimization terminated successfully. Current function value: -1.105963 Iterations: 38 Function evaluations: 82 Tmp Lattice Constants: [5.17618536] Tmp Energy: -1.105962985469384 -------- ERR: Lower energy is obtained by separating atoms beyond cutoff. ERR: System Collapsed. Structure Maybe Unstable.