-------------------------------------------------------------------------------- This is Test : ElasticConstantsFirstStrainGradientNumerical_bcc_Fe__TE_177609823376_000 Results for KIM Model : model_Fe_PF_DudarevDerlet__MO_135034229282_001 Crystal strucutre : bcc Species : Fe Using a magnetic interatomic potential for alpha iron atomic number is: 26.000000000000000 Using a magnetic interatomic potential for alpha iron atomic number is: 26.000000000000000 Relaxing the crystal to its equilibrium lattice constant -------------------------------------------------------- Lattice spacing energy 6.15000 -3.13130 5.12500 -3.13130 5.12500 -3.13130 3.07500 -5.56260 2.05000 27.45686 2.05000 27.45686 3.58750 -3.82677 2.56250 -5.50307 2.81875 -5.86574 2.56250 -5.50307 2.94687 -5.83218 2.69062 -5.69843 2.88281 -5.87974 2.94687 -5.83218 2.85078 -5.87992 2.81875 -5.86574 2.86680 -5.88165 2.88281 -5.87974 2.85879 -5.88123 2.87480 -5.88116 2.86279 -5.88155 2.87080 -5.88152 2.86479 -5.88163 2.86880 -5.88161 2.86580 -5.88164 2.86780 -5.88164 2.86630 -5.88165 2.86580 -5.88164 2.86655 -5.88165 2.86680 -5.88165 2.86642 -5.88165 2.86667 -5.88165 2.86648 -5.88165 2.86642 -5.88165 2.86652 -5.88165 2.86655 -5.88165 2.86650 -5.88165 2.86648 -5.88165 2.86651 -5.88165 2.86649 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 2.86650 -5.88165 Equilibrium lattice spacing : 2.8664998762 Using a magnetic interatomic potential for alpha iron atomic number is: 26.000000000000000