-------------------------------------------------------------------------------- This is Test : ElasticConstantsFirstStrainGradientNumerical_bcc_Fe__TE_177609823376_000 Results for KIM Model : model_Fe_PF_mendelev__MO_856295952425_001 Crystal strucutre : bcc Species : Fe Using Fe Mendelev potential atomic number is: 26.000000000000000 Using Fe Mendelev potential atomic number is: 26.000000000000000 Relaxing the crystal to its equilibrium lattice constant -------------------------------------------------------- Lattice spacing energy 3.97500 -1.42247 1.32500 168.05636 3.31250 -3.29665 1.98750 7.70998 2.98125 -4.02187 3.31250 -3.29665 2.81562 -4.11114 2.65000 -3.80747 2.89844 -4.10930 2.73281 -4.01480 2.85703 -4.12241 2.89844 -4.10930 2.83633 -4.11985 2.87773 -4.11887 2.84668 -4.12190 2.86738 -4.12140 2.85186 -4.12235 2.86221 -4.12210 2.85444 -4.12243 2.85186 -4.12235 2.85574 -4.12243 2.85703 -4.12241 2.85509 -4.12243 2.85444 -4.12243 2.85541 -4.12244 2.85574 -4.12243 2.85525 -4.12244 2.85509 -4.12243 2.85533 -4.12244 2.85541 -4.12244 2.85529 -4.12244 2.85537 -4.12244 2.85531 -4.12244 2.85535 -4.12244 2.85532 -4.12244 2.85531 -4.12244 2.85533 -4.12244 2.85532 -4.12244 2.85533 -4.12244 2.85533 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85533 -4.12244 2.85532 -4.12244 2.85533 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 2.85532 -4.12244 Equilibrium lattice spacing : 2.8553245950 Using Fe Mendelev potential atomic number is: 26.000000000000000