-------------------------------------------------------------------------------- This is Test : ElasticConstantsFirstStrainGradientNumerical_bcc_Fe__TE_177609823376_000 Results for KIM Model : Pair_Johnson_Fe__MO_857282754307_002 Crystal strucutre : bcc Species : Fe Relaxing the crystal to its equilibrium lattice constant -------------------------------------------------------- Lattice spacing energy 5.16000 0.00000 4.30000 0.00000 4.30000 0.00000 2.58000 -0.83102 1.72000 44.25514 1.72000 44.25514 3.01000 -1.43343 3.44000 -0.62519 2.79500 -1.51446 2.58000 -0.83102 2.90250 -1.52817 3.01000 -1.43343 2.84875 -1.53653 2.79500 -1.51446 2.87563 -1.53595 2.82188 -1.52951 2.86219 -1.53716 2.87563 -1.53595 2.85547 -1.53708 2.86891 -1.53678 2.85883 -1.53718 2.85547 -1.53708 2.86051 -1.53719 2.86219 -1.53716 2.85967 -1.53719 2.85883 -1.53718 2.86009 -1.53719 2.86051 -1.53719 2.85988 -1.53719 2.86030 -1.53719 2.85998 -1.53719 2.85988 -1.53719 2.86004 -1.53719 2.85993 -1.53719 2.86001 -1.53719 2.86004 -1.53719 2.86000 -1.53719 2.85998 -1.53719 2.86000 -1.53719 2.86001 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 2.86000 -1.53719 Equilibrium lattice spacing : 2.8599998195