-------------------------------------------------------------------------------- This is Test : ElasticConstantsFirstStrainGradient_bcc_Fe__TE_132463034437_000 Results for KIM Model : LennardJones612_UniversalShifted__MO_959249795837_002 Crystal strucutre : bcc Species : Fe Relaxing the crystal to its equilibrium lattice constant -------------------------------------------------------- Lattice spacing energy 7.05592 -0.07279 2.35197 53.25307 5.87993 -0.23970 3.52796 -4.92359 2.35197 53.25307 2.35197 53.25307 4.11595 -2.13230 2.93997 -9.37595 2.35197 53.25307 2.35197 53.25307 3.23396 -7.28604 2.64597 -3.95310 3.08696 -8.53979 2.79297 -8.72362 2.86647 -9.34645 3.01346 -9.05515 2.90322 -9.41780 2.86647 -9.34645 2.92159 -9.40922 2.88484 -9.39818 2.91240 -9.41681 2.89403 -9.41175 2.90781 -9.41816 2.91240 -9.41681 2.90551 -9.41820 2.90322 -9.41780 2.90666 -9.41823 2.90781 -9.41816 2.90609 -9.41823 2.90724 -9.41821 2.90637 -9.41823 2.90609 -9.41823 2.90652 -9.41823 2.90666 -9.41823 2.90645 -9.41823 2.90637 -9.41823 2.90648 -9.41823 2.90641 -9.41823 2.90646 -9.41823 2.90643 -9.41823 2.90645 -9.41823 2.90644 -9.41823 2.90645 -9.41823 2.90644 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 2.90645 -9.41823 Equilibrium lattice spacing : 2.9064480192