-------------------------------------------------------------------------------- This is Test : ElasticConstantsFirstStrainGradientNumerical_bcc_Fe__TE_177609823376_000 Results for KIM Model : Tersoff_LAMMPS_Mueller_Erhart_Albe_Fe__MO_137964310702_000 Crystal strucutre : bcc Species : Fe Relaxing the crystal to its equilibrium lattice constant -------------------------------------------------------- Lattice spacing energy 5.02500 0.00000 4.18750 0.00000 4.18750 0.00000 2.51250 -2.97604 1.67500 61.66371 1.67500 61.66371 2.93125 -4.24857 3.35000 -2.93788 2.72187 -4.12419 3.14062 -3.64816 2.82656 -4.27196 2.72187 -4.12419 2.87891 -4.27767 2.93125 -4.24857 2.85273 -4.27962 2.82656 -4.27196 2.86582 -4.27979 2.87891 -4.27767 2.85928 -4.28000 2.85273 -4.27962 2.86255 -4.27996 2.85601 -4.27988 2.86091 -4.28000 2.86255 -4.27996 2.86010 -4.28000 2.85928 -4.28000 2.86050 -4.28000 2.85969 -4.28000 2.86030 -4.28000 2.85989 -4.28000 2.86020 -4.28000 2.86030 -4.28000 2.86015 -4.28000 2.86025 -4.28000 2.86017 -4.28000 2.86022 -4.28000 2.86018 -4.28000 2.86021 -4.28000 2.86019 -4.28000 2.86020 -4.28000 2.86019 -4.28000 2.86019 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 2.86020 -4.28000 Equilibrium lattice spacing : 2.8601954395