-------------------------------------------------------------------------------- This is Test : ElasticConstantsFirstStrainGradientNumerical_bcc_W__TE_825380271786_000 Results for KIM Model : Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_W__MO_390128289865_001 Crystal strucutre : bcc Species : W Relaxing the crystal to its equilibrium lattice constant -------------------------------------------------------- Lattice spacing energy 6.31231 -0.30157 2.10410 69.16040 5.26026 -1.12994 3.15616 -8.74041 2.10410 69.16040 2.10410 69.16040 3.68218 -6.61633 2.63013 -0.28173 3.41917 -8.01330 2.89314 -7.28946 3.28766 -8.52550 3.02465 -8.43869 3.22191 -8.68075 3.09040 -8.67197 3.18903 -8.72457 3.12328 -8.72432 3.17260 -8.73623 3.13972 -8.73662 3.14794 -8.73954 3.16438 -8.73928 3.15205 -8.74023 3.16027 -8.74009 3.15410 -8.74038 3.15821 -8.74031 3.15513 -8.74041 3.15410 -8.74038 3.15564 -8.74041 3.15616 -8.74041 3.15539 -8.74041 3.15590 -8.74041 3.15552 -8.74041 3.15539 -8.74041 3.15558 -8.74041 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3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 3.15558 -8.74041 ITMAX exceeded in amoeba Check convergence. If there seems to be convergence, then increase ITMAX