Element = Lattice = Model = Element: Fr Lattice: hcp Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 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: -3.122469 Iterations: 39 Function evaluations: 82 Tmp Lattice Constants: [5.05735844] Tmp Energy: -3.122469015397798 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.25] Optimization terminated successfully. Current function value: -3.122469 Iterations: 39 Function evaluations: 82 Tmp Lattice Constants: [5.05735843] Tmp Energy: -3.1224690153978107 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.5] Optimization terminated successfully. Current function value: -3.122469 Iterations: 40 Function evaluations: 87 Tmp Lattice Constants: [5.05735843] Tmp Energy: -3.1224690153978125 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.75] Optimization terminated successfully. Current function value: -3.122469 Iterations: 39 Function evaluations: 82 Tmp Lattice Constants: [5.05735845] Tmp Energy: -3.1224690153978116 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [3.0] Optimization terminated successfully. Current function value: -3.122469 Iterations: 41 Function evaluations: 90 Tmp Lattice Constants: [5.05735842] Tmp Energy: -3.1224690153977965 -------- ERR: Lower energy is obtained by separating atoms beyond cutoff. ERR: System Collapsed. Structure Maybe Unstable.