-------------------------------------------------------------------------------- This is Test : ElasticConstantsFirstStrainGradientNumerical_bcc_Fe__TE_177609823376_000 Results for KIM Model : model_Fe_PF_chiesa_quinticsplines__MO_140444321607_001 Crystal strucutre : bcc Species : Fe Using Fe improved magnetic potential with 5th order knot functions Using Fe improved magnetic potential with 5th order knot functions Relaxing the crystal to its equilibrium lattice constant -------------------------------------------------------- Lattice spacing energy 6.00000 -16.18723 5.00000 -16.18723 5.00000 -16.18723 3.00000 -21.86409 2.00000 2.73950 2.00000 2.73950 3.50000 -20.08380 2.50000 -20.85212 2.75000 -21.87669 2.50000 -20.85212 2.87500 -21.97673 3.00000 -21.86409 2.81250 -21.95626 2.93750 -21.94368 2.84375 -21.97357 2.90625 -21.96648 2.85938 -21.97687 2.84375 -21.97357 2.86719 -21.97723 2.87500 -21.97673 2.86328 -21.97716 2.87109 -21.97708 2.86523 -21.97722 2.86914 -21.97718 2.86621 -21.97723 2.86523 -21.97722 2.86670 -21.97723 2.86719 -21.97723 2.86646 -21.97723 2.86621 -21.97723 2.86658 -21.97723 2.86633 -21.97723 2.86652 -21.97723 2.86658 -21.97723 2.86649 -21.97723 2.86655 -21.97723 2.86650 -21.97723 2.86649 -21.97723 2.86651 -21.97723 2.86649 -21.97723 2.86650 -21.97723 2.86651 -21.97723 2.86650 -21.97723 2.86651 -21.97723 2.86650 -21.97723 2.86651 -21.97723 2.86650 -21.97723 2.86651 -21.97723 2.86650 -21.97723 2.86650 -21.97723 2.86650 -21.97723 2.86650 -21.97723 2.86650 -21.97723 2.86650 -21.97723 2.86650 -21.97723 2.86650 -21.97723 2.86650 -21.97723 Equilibrium lattice spacing : 2.8665045798 Using Fe improved magnetic potential with 5th order knot functions