Element = Lattice = Model = Element: Fr Lattice: hcp Model: LennardJones612_UniversalShifted__MO_959249795837_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: -2.894370 Iterations: 40 Function evaluations: 86 Tmp Lattice Constants: [5.13487725] Tmp Energy: -2.89437037304 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.25] Optimization terminated successfully. Current function value: -2.894370 Iterations: 39 Function evaluations: 82 Tmp Lattice Constants: [5.13487717] Tmp Energy: -2.89437037304 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.5] Optimization terminated successfully. Current function value: -2.894370 Iterations: 39 Function evaluations: 84 Tmp Lattice Constants: [5.13487714] Tmp Energy: -2.89437037304 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.75] Optimization terminated successfully. Current function value: -2.894370 Iterations: 40 Function evaluations: 86 Tmp Lattice Constants: [5.13487717] Tmp Energy: -2.89437037304 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [3.0] Optimization terminated successfully. Current function value: -2.894370 Iterations: 38 Function evaluations: 84 Tmp Lattice Constants: [5.13487719] Tmp Energy: -2.89437037304 -------- ERR: Lower energy is obtained by separating atoms beyond cutoff. ERR: System Collapsed. Structure Maybe Unstable.