Element = Lattice = Model = Element: Al Lattice: hcp Model: Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_AlO__SM_853967355976_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: 0.000000 Iterations: 42 Function evaluations: 118 Tmp Lattice Constants: [11.5] Tmp Energy: 0.0 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.25] Optimization terminated successfully. Current function value: 0.000000 Iterations: 43 Function evaluations: 121 Tmp Lattice Constants: [12.9375] Tmp Energy: 0.0 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.5] Optimization terminated successfully. Current function value: 0.000000 Iterations: 43 Function evaluations: 121 Tmp Lattice Constants: [14.375] Tmp Energy: 0.0 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.75] Optimization terminated successfully. Current function value: 0.000000 Iterations: 42 Function evaluations: 119 Tmp Lattice Constants: [11.4125] 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: 42 Function evaluations: 119 Tmp Lattice Constants: [12.45] Tmp Energy: 0.0 -------- ERR: Lower energy is obtained by separating atoms beyond cutoff. ERR: System Collapsed. Structure Maybe Unstable.