# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = NbTaZr2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-06-16 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 3.623990211e+02 3.623990211e+02 1.28 3.377480777e+02 3.377480777e+02 1.30 3.148454673e+02 3.148454673e+02 1.32 2.935466805e+02 2.935466805e+02 1.34 2.737219717e+02 2.737219717e+02 1.36 2.552542365e+02 2.552542365e+02 1.38 2.380360159e+02 2.380360159e+02 1.40 2.219689320e+02 2.219689320e+02 1.42 2.069655510e+02 2.069655510e+02 1.44 1.929496483e+02 1.929496483e+02 1.46 1.798545073e+02 1.798545073e+02 1.48 1.676205038e+02 1.676205038e+02 1.50 1.561928392e+02 1.561928392e+02 1.52 1.455167226e+02 1.455167226e+02 1.54 1.355352822e+02 1.355352822e+02 1.56 1.261920375e+02 1.261920375e+02 1.58 1.174360745e+02 1.174360745e+02 1.60 1.092240632e+02 1.092240632e+02 1.62 1.015205305e+02 1.015205305e+02 1.64 9.429573279e+01 9.429573279e+01 1.66 8.752397111e+01 8.752397111e+01 1.68 8.118111395e+01 8.118111395e+01 1.70 7.524335283e+01 7.524335283e+01 1.72 6.968671278e+01 6.968671278e+01 1.74 6.449428257e+01 6.449428257e+01 1.76 5.964670900e+01 5.964670900e+01 1.78 5.512063061e+01 5.512063061e+01 1.80 5.089388001e+01 5.089388001e+01 1.82 4.694555623e+01 4.694555623e+01 1.84 4.325710793e+01 4.325710793e+01 1.86 3.981213317e+01 3.981213317e+01 1.88 3.659587676e+01 3.659587676e+01 1.90 3.359453549e+01 3.359453549e+01 1.92 3.079453929e+01 3.079453929e+01 1.94 2.818277771e+01 2.818277771e+01 1.96 2.574676389e+01 2.574676389e+01 1.98 2.347452052e+01 2.347452052e+01 2.00 2.135418027e+01 2.135418027e+01 2.02 1.937393734e+01 1.937393734e+01 2.04 1.752226175e+01 1.752226175e+01 2.06 1.578868803e+01 1.578868803e+01 2.08 1.416412927e+01 1.416412927e+01 2.10 1.264103757e+01 1.264103757e+01 2.12 1.121325030e+01 1.121325030e+01 2.14 9.875535442e+00 9.875535442e+00 2.16 8.623434083e+00 8.623434083e+00 2.18 7.452781380e+00 7.452781380e+00 2.20 6.359519286e+00 6.359519286e+00 2.22 5.339603696e+00 5.339603696e+00 2.24 4.389078624e+00 4.389078624e+00 2.26 3.503996633e+00 3.503996633e+00 2.28 2.680551919e+00 2.680551919e+00 2.30 1.914915464e+00 1.914915464e+00 2.32 1.203082496e+00 1.203082496e+00 2.34 5.409315721e-01 5.409315721e-01 2.36 -7.555086476e-02 -7.555086476e-02 2.38 -6.500758469e-01 -6.500758469e-01 2.40 -1.185757568e+00 -1.185757568e+00 2.42 -1.685198528e+00 -1.685198528e+00 2.44 -2.150565082e+00 -2.150565082e+00 2.46 -2.583718036e+00 -2.583718036e+00 2.48 -2.986333353e+00 -2.986333353e+00 2.50 -3.360011689e+00 -3.360011689e+00 2.52 -3.706374055e+00 -3.706374055e+00 2.54 -4.027121088e+00 -4.027121088e+00 2.56 -4.324023360e+00 -4.324023360e+00 2.58 -4.598816565e+00 -4.598816565e+00 2.60 -4.853206545e+00 -4.853206545e+00 2.62 -5.088620467e+00 -5.088620467e+00 2.64 -5.306311214e+00 -5.306311214e+00 2.66 -5.507326882e+00 -5.507326882e+00 2.68 -5.692531114e+00 -5.692531114e+00 2.70 -5.862640330e+00 -5.862640330e+00 2.72 -6.018278033e+00 -6.018278033e+00 2.74 -6.159991932e+00 -6.159991932e+00 2.76 -6.288430278e+00 -6.288430278e+00 2.78 -6.404161596e+00 -6.404161596e+00 2.80 -6.507832028e+00 -6.507832028e+00 2.82 -6.600121268e+00 -6.600121268e+00 2.84 -6.681241704e+00 -6.681241704e+00 2.86 -6.751241330e+00 -6.751241330e+00 2.88 -6.809878018e+00 -6.809878018e+00 2.90 -6.858122629e+00 -6.858122629e+00 2.92 -6.896897539e+00 -6.896897539e+00 2.94 -6.927000469e+00 -6.927000469e+00 2.96 -6.949096937e+00 -6.949096937e+00 2.98 -6.963806597e+00 -6.963806597e+00 3.00 -6.971630850e+00 -6.971630850e+00 3.02 -6.973112608e+00 -6.973112608e+00 3.04 -6.968608249e+00 -6.968608249e+00 3.06 -6.958395643e+00 -6.958395643e+00 3.08 -6.942404899e+00 -6.942404899e+00 3.10 -6.920401482e+00 -6.920401482e+00 3.12 -6.892240122e+00 -6.892240122e+00 3.14 -6.857785517e+00 -6.857785517e+00 3.16 -6.816916844e+00 -6.816916844e+00 3.18 -6.769536517e+00 -6.769536517e+00 3.20 -6.715583768e+00 -6.715583768e+00 3.22 -6.655051431e+00 -6.655051431e+00 3.24 -6.588004505e+00 -6.588004505e+00 3.26 -6.514595511e+00 -6.514595511e+00 3.28 -6.435073063e+00 -6.435073063e+00 3.30 -6.349779814e+00 -6.349779814e+00 3.32 -6.259142360e+00 -6.259142360e+00 3.34 -6.163646380e+00 -6.163646380e+00 3.36 -6.063888552e+00 -6.063888552e+00 3.38 -5.960495627e+00 -5.960495627e+00 3.40 -5.854202018e+00 -5.854202018e+00 3.42 -5.745836790e+00 -5.745836790e+00 3.44 -5.636298664e+00 -5.636298664e+00 3.46 -5.526495414e+00 -5.526495414e+00 3.48 -5.417255181e+00 -5.417255181e+00 3.50 -5.309237557e+00 -5.309237557e+00 3.52 -5.202871259e+00 -5.202871259e+00 3.54 -5.098336448e+00 -5.098336448e+00 3.56 -4.995589442e+00 -4.995589442e+00 3.58 -4.894415107e+00 -4.894415107e+00 3.60 -4.794488705e+00 -4.794488705e+00 3.62 -4.695432991e+00 -4.695432991e+00 3.64 -4.596864187e+00 -4.596864187e+00 3.66 -4.498425384e+00 -4.498425384e+00 3.68 -4.399809688e+00 -4.399809688e+00 3.70 -4.300775729e+00 -4.300775729e+00 3.72 -4.201158287e+00 -4.201158287e+00 3.74 -4.100874335e+00 -4.100874335e+00 3.76 -3.999925656e+00 -3.999925656e+00 3.78 -3.898397369e+00 -3.898397369e+00 3.80 -3.796452312e+00 -3.796452312e+00 3.82 -3.694320715e+00 -3.694320715e+00 3.84 -3.592286650e+00 -3.592286650e+00 3.86 -3.490642822e+00 -3.490642822e+00 3.88 -3.389797179e+00 -3.389797179e+00 3.90 -3.290064094e+00 -3.290064094e+00 3.92 -3.191791898e+00 -3.191791898e+00 3.94 -3.095320772e+00 -3.095320772e+00 3.96 -3.000981981e+00 -3.000981981e+00 3.98 -2.909098790e+00 -2.909098790e+00 4.00 -2.819985971e+00 -2.819985971e+00 4.02 -2.733954702e+00 -2.733954702e+00 4.04 -2.651154327e+00 -2.651154327e+00 4.06 -2.572049561e+00 -2.572049561e+00 4.08 -2.496673549e+00 -2.496673549e+00 4.10 -2.425104780e+00 -2.425104780e+00 4.12 -2.357331081e+00 -2.357331081e+00 4.14 -2.293253642e+00 -2.293253642e+00 4.16 -2.232700807e+00 -2.232700807e+00 4.18 -2.175447824e+00 -2.175447824e+00 4.20 -2.121238189e+00 -2.121238189e+00 4.22 -2.069803023e+00 -2.069803023e+00 4.24 -2.020876538e+00 -2.020876538e+00 4.26 -1.974206927e+00 -1.974206927e+00 4.28 -1.929562849e+00 -1.929562849e+00 4.30 -1.886736556e+00 -1.886736556e+00 4.32 -1.845544622e+00 -1.845544622e+00 4.34 -1.805826974e+00 -1.805826974e+00 4.36 -1.767444998e+00 -1.767444998e+00 4.38 -1.730279294e+00 -1.730279294e+00 4.40 -1.694227305e+00 -1.694227305e+00 4.42 -1.659200969e+00 -1.659200969e+00 4.44 -1.625124629e+00 -1.625124629e+00 4.46 -1.591933193e+00 -1.591933193e+00 4.48 -1.559570484e+00 -1.559570484e+00 4.50 -1.527987841e+00 -1.527987841e+00 4.52 -1.497142965e+00 -1.497142965e+00 4.54 -1.466998914e+00 -1.466998914e+00 4.56 -1.437523255e+00 -1.437523255e+00 4.58 -1.408687366e+00 -1.408687366e+00 4.60 -1.380465855e+00 -1.380465855e+00 4.62 -1.352836051e+00 -1.352836051e+00 4.64 -1.325777587e+00 -1.325777587e+00 4.66 -1.299272060e+00 -1.299272060e+00 4.68 -1.273302728e+00 -1.273302728e+00 4.70 -1.247854288e+00 -1.247854288e+00 4.72 -1.222852347e+00 -1.222852347e+00 4.74 -1.198415593e+00 -1.198415593e+00 4.76 -1.174458063e+00 -1.174458063e+00 4.78 -1.150968712e+00 -1.150968712e+00 4.80 -1.127937050e+00 -1.127937050e+00 4.82 -1.105353061e+00 -1.105353061e+00 4.84 -1.083207137e+00 -1.083207137e+00 4.86 -1.061490027e+00 -1.061490027e+00 4.88 -1.040192775e+00 -1.040192775e+00 4.90 -1.019306676e+00 -1.019306676e+00 4.92 -9.988232326e-01 -9.988232326e-01 4.94 -9.787341135e-01 -9.787341135e-01 4.96 -9.590311122e-01 -9.590311122e-01 4.98 -9.397061096e-01 -9.397061096e-01 5.00 -9.207510347e-01 -9.207510347e-01 5.02 -9.021578248e-01 -9.021578248e-01 5.04 -8.839183829e-01 -8.839183829e-01 5.06 -8.660245354e-01 -8.660245354e-01 5.08 -8.484679832e-01 -8.484679832e-01 5.10 -8.312402517e-01 -8.312402517e-01 5.12 -8.143326338e-01 -8.143326338e-01 5.14 -7.977361318e-01 -7.977361318e-01 5.16 -7.814413874e-01 -7.814413874e-01 5.18 -7.654386153e-01 -7.654386153e-01 5.20 -7.497175223e-01 -7.497175223e-01 5.22 -7.342672315e-01 -7.342672315e-01 5.24 -7.190761941e-01 -7.190761941e-01 5.26 -7.041321133e-01 -7.041321133e-01 5.28 -6.894218591e-01 -6.894218591e-01 5.30 -6.749314066e-01 -6.749314066e-01 5.32 -6.606457798e-01 -6.606457798e-01 5.34 -6.465490374e-01 -6.465490374e-01 5.36 -6.326242889e-01 -6.326242889e-01 5.38 -6.188537852e-01 -6.188537852e-01 5.40 -6.052190813e-01 -6.052190813e-01 5.42 -5.917013027e-01 -5.917013027e-01 5.44 -5.782815567e-01 -5.782815567e-01 5.46 -5.649414876e-01 -5.649414876e-01 5.48 -5.516640258e-01 -5.516640258e-01 5.50 -5.384342875e-01 -5.384342875e-01 5.52 -5.252406895e-01 -5.252406895e-01 5.54 -5.120761280e-01 -5.120761280e-01 5.56 -4.989392811e-01 -4.989392811e-01 5.58 -4.858357426e-01 -4.858357426e-01 5.60 -4.727790276e-01 -4.727790276e-01 5.62 -4.597910495e-01 -4.597910495e-01 5.64 -4.469021126e-01 -4.469021126e-01 5.66 -4.341492816e-01 -4.341492816e-01 5.68 -4.215738548e-01 -4.215738548e-01 5.70 -4.092242987e-01 -4.092242987e-01 5.72 -3.971503046e-01 -3.971503046e-01 5.74 -3.853993448e-01 -3.853993448e-01 5.76 -3.740136242e-01 -3.740136242e-01 5.78 -3.630276377e-01 -3.630276377e-01 5.80 -3.524663593e-01 -3.524663593e-01 5.82 -3.423444652e-01 -3.423444652e-01 5.84 -3.326663091e-01 -3.326663091e-01 5.86 -3.234267588e-01 -3.234267588e-01 5.88 -3.146124771e-01 -3.146124771e-01 5.90 -3.062035685e-01 -3.062035685e-01 5.92 -2.981752564e-01 -2.981752564e-01 5.94 -2.904994915e-01 -2.904994915e-01 5.96 -2.831463453e-01 -2.831463453e-01 5.98 -2.760851269e-01 -2.760851269e-01 6.00 -2.692852320e-01 -2.692852320e-01