Element = Lattice = Model = Element: Ti Lattice: hcp Model: Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_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: 2.633533 Iterations: 36 Function evaluations: 80 Tmp Lattice Constants: [2.40997077] Tmp Energy: 2.633533482007092 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.25] Optimization terminated successfully. Current function value: 2.633533 Iterations: 32 Function evaluations: 70 Tmp Lattice Constants: [2.40997089] Tmp Energy: 2.633533482007051 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.5] Optimization terminated successfully. Current function value: 2.633533 Iterations: 35 Function evaluations: 76 Tmp Lattice Constants: [2.40997092] Tmp Energy: 2.6335334820070813 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.75] Optimization terminated successfully. Current function value: 0.000000 Iterations: 39 Function evaluations: 111 Tmp Lattice Constants: [5.9125] Tmp Energy: 0.0 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [3.0] Optimization terminated successfully. Current function value: 0.000000 Iterations: 39 Function evaluations: 111 Tmp Lattice Constants: [6.45] Tmp Energy: 0.0 -------- ERR: Lower energy is obtained by separating atoms beyond cutoff. ERR: System Collapsed. Structure Maybe Unstable.