-------------------------------------------------------------------------------- This is Test : ElasticConstantsFirstStrainGradientNumerical_bcc_W__TE_825380271786_000 Results for KIM Model : model_W_PF_cubicsplines__MO_195478838873_001 Crystal strucutre : bcc Species : W Using W potential atomic number is: 74.000000000000000 Using W potential atomic number is: 74.000000000000000 Relaxing the crystal to its equilibrium lattice constant -------------------------------------------------------- Lattice spacing energy 6.40335 0.00000 5.33613 0.00000 5.33613 0.00000 3.20168 -8.88005 2.13445 144.99320 2.13445 144.99320 3.73529 -2.40434 2.66806 -0.40003 3.46848 -6.68078 2.93487 -7.81656 3.06827 -8.71817 3.33508 -8.28055 3.13497 -8.88476 3.06827 -8.71817 3.16832 -8.89986 3.20168 -8.88005 3.15165 -8.89723 3.18500 -8.89435 3.15999 -8.89961 3.17666 -8.89814 3.16416 -8.89998 3.15999 -8.89961 3.16624 -8.89999 3.16832 -8.89986 3.16520 -8.90000 3.16416 -8.89998 3.16572 -8.90000 3.16468 -8.90000 3.16546 -8.90000 3.16494 -8.90000 3.16533 -8.90000 3.16507 -8.90000 3.16526 -8.90000 3.16513 -8.90000 3.16523 -8.90000 3.16517 -8.90000 3.16521 -8.90000 3.16518 -8.90000 3.16521 -8.90000 3.16519 -8.90000 3.16520 -8.90000 3.16521 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 3.16520 -8.90000 Equilibrium lattice spacing : 3.1651999366 Using W potential atomic number is: 74.000000000000000