-------------------------------------------------------------------------------- This is Test : ElasticConstantsFirstStrainGradientNumerical_fcc_Al__TE_531821030293_000 Results for KIM Model : EAM_Dynamo_Cai_Ye_AlCu__MO_942551040047_004 Crystal strucutre : fcc Species : Al Relaxing the crystal to its equilibrium lattice constant -------------------------------------------------------- Lattice spacing energy 5.01187 -2.22075 6.68250 -0.12984 4.17656 -3.28709 3.34125 -1.10291 4.59422 -2.97192 3.75891 -3.07496 3.96773 -3.30234 3.75891 -3.07496 4.07215 -3.31724 4.17656 -3.28709 4.01994 -3.31630 4.12436 -3.30706 4.04604 -3.31829 4.01994 -3.31630 4.05910 -3.31813 4.03299 -3.31769 4.05257 -3.31830 4.05910 -3.31813 4.04931 -3.31832 4.04604 -3.31829 4.05094 -3.31831 4.04768 -3.31831 4.05012 -3.31832 4.05094 -3.31831 4.04972 -3.31832 4.04931 -3.31832 4.04992 -3.31832 4.04951 -3.31832 4.04982 -3.31832 4.04961 -3.31832 4.04977 -3.31832 4.04982 -3.31832 4.04974 -3.31832 4.04979 -3.31832 4.04975 -3.31832 4.04978 -3.31832 4.04976 -3.31832 4.04977 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04977 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 * Error: at line 626 in EAM_Implementation.hpp Message: Particle has density value outside of embedding function interpolation domain KIM_STATUS_MSG: unsuccessful completion * Error: at line 317 in mod_kim.F03 Message: kim_api_model_compute KIM_STATUS_MSG: unsuccessful completion 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 4.04976 -3.31832 Equilibrium lattice spacing : 4.0497635133