Element = Lattice = Model = Element: P Lattice: hcp Model: Sim_LAMMPS_Vashishta_BranicioRinoGan_2009_InP__SM_090647175366_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: 40 Function evaluations: 113 Tmp Lattice Constants: [6.7] 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: 41 Function evaluations: 116 Tmp Lattice Constants: [7.5375] 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: 40 Function evaluations: 114 Tmp Lattice Constants: [6.375] 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: 40 Function evaluations: 114 Tmp Lattice Constants: [7.0125] 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.