Element = Lattice = Model = Element: Ni Lattice: hcp Model: EAM_CubicNaturalSpline_Angelo_Moody_Ni__MO_800536961967_001 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: -9.839564 Iterations: 34 Function evaluations: 70 Tmp Lattice Constants: [2.52488762] Tmp Energy: -9.83956395694 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.25] Optimization terminated successfully. Current function value: -4.360776 Iterations: 35 Function evaluations: 76 Tmp Lattice Constants: [2.52852943] Tmp Energy: -4.36077649524 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.5] Optimization terminated successfully. Current function value: -9.044785 Iterations: 33 Function evaluations: 68 Tmp Lattice Constants: [2.52731567] Tmp Energy: -9.04478454938 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [2.75] Optimization terminated successfully. Current function value: -4.360776 Iterations: 37 Function evaluations: 81 Tmp Lattice Constants: [2.52852945] Tmp Energy: -4.36077649524 -------- Simplex search starting from: 5.0 * 0 Simplex search starting from: [3.0] Optimization terminated successfully. Current function value: -4.809998 Iterations: 38 Function evaluations: 79 Tmp Lattice Constants: [2.5238766] Tmp Energy: -4.80999848216 -------- Relaxation with c/a ratio relaxed Simplex search starting from c/a ratio: 1.633 * 0.8 Simplex search starting from: [2.524887617677451, 3.2984993712966246] * Error: at line 626 in EAM_Implementation.hpp Message: Particle has density value outside of embedding function interpolation domain KIM_STATUS_MSG: unsuccessful completion