-------------------------------------------------------------------------------- This is Test : ElasticConstantsFirstStrainGradientNumerical_bcc_W__TE_825380271786_000 Results for KIM Model : LennardJones612_UniversalShifted__MO_959249795837_002 Crystal strucutre : bcc Species : W Relaxing the crystal to its equilibrium lattice constant -------------------------------------------------------- Lattice spacing energy 8.65950 -0.42186 2.88650 308.63691 7.21625 -1.38912 4.32975 -28.53356 2.88650 308.63691 2.88650 308.63691 5.05137 -12.35731 3.60812 -54.33520 2.88650 308.63691 2.88650 308.63691 3.96894 -42.22443 3.24731 -22.90476 3.78853 -49.48997 3.42772 -50.55362 3.51792 -54.16375 3.69833 -52.47640 3.56302 -54.57754 3.51792 -54.16375 3.58557 -54.52789 3.54047 -54.46368 3.57430 -54.57182 3.55175 -54.54241 3.56866 -54.57962 3.57430 -54.57182 3.56584 -54.57983 3.56302 -54.57754 3.56725 -54.58003 3.56866 -54.57962 3.56655 -54.58001 3.56796 -54.57990 3.56690 -54.58004 3.56655 -54.58001 3.56708 -54.58004 3.56725 -54.58003 3.56699 -54.58004 3.56690 -54.58004 3.56703 -54.58004 3.56694 -54.58004 3.56701 -54.58004 3.56703 -54.58004 3.56700 -54.58004 3.56702 -54.58004 3.56700 -54.58004 3.56700 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 3.56701 -54.58004 Equilibrium lattice spacing : 3.5670060663