# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag2MoPb # 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 2024-04-11 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 nan nan 1.28 3.357327963e+02 3.357327963e+02 1.30 3.120479064e+02 3.120479064e+02 1.32 2.900722320e+02 2.900722320e+02 1.34 2.696812194e+02 2.696812194e+02 1.36 2.507601089e+02 2.507601089e+02 1.38 2.332001382e+02 2.332001382e+02 1.40 2.168969959e+02 2.168969959e+02 1.42 2.017515291e+02 2.017515291e+02 1.44 1.876712607e+02 1.876712607e+02 1.46 1.745714095e+02 1.745714095e+02 1.48 1.623750980e+02 1.623750980e+02 1.50 1.510129590e+02 1.510129590e+02 1.52 1.404223971e+02 1.404223971e+02 1.54 1.305467058e+02 1.305467058e+02 1.56 1.213342189e+02 1.213342189e+02 1.58 1.127376166e+02 1.127376166e+02 1.60 1.047134053e+02 1.047134053e+02 1.62 9.722157150e+01 9.722157150e+01 1.64 9.022535858e+01 9.022535858e+01 1.66 8.369110996e+01 8.369110996e+01 1.68 7.758805227e+01 7.758805227e+01 1.70 7.188909201e+01 7.188909201e+01 1.72 6.657086497e+01 6.657086497e+01 1.74 6.161577968e+01 6.161577968e+01 1.76 5.700299693e+01 5.700299693e+01 1.78 5.270923805e+01 5.270923805e+01 1.80 4.871217694e+01 4.871217694e+01 1.82 4.499077319e+01 4.499077319e+01 1.84 4.152546768e+01 4.152546768e+01 1.86 3.829827981e+01 3.829827981e+01 1.88 3.529277496e+01 3.529277496e+01 1.90 3.249391296e+01 3.249391296e+01 1.92 2.988784864e+01 2.988784864e+01 1.94 2.746174440e+01 2.746174440e+01 1.96 2.520362421e+01 2.520362421e+01 1.98 2.310227647e+01 2.310227647e+01 2.00 2.114717780e+01 2.114717780e+01 2.02 1.932842168e+01 1.932842168e+01 2.04 1.763664872e+01 1.763664872e+01 2.06 1.606299273e+01 1.606299273e+01 2.08 1.459905264e+01 1.459905264e+01 2.10 1.323689523e+01 1.323689523e+01 2.12 1.196907819e+01 1.196907819e+01 2.14 1.078868209e+01 1.078868209e+01 2.16 9.689339355e+00 9.689339355e+00 2.18 8.665248558e+00 8.665248558e+00 2.20 7.711163930e+00 7.711163930e+00 2.22 6.822362958e+00 6.822362958e+00 2.24 5.994592877e+00 5.994592877e+00 2.26 5.224005624e+00 5.224005624e+00 2.28 4.507086030e+00 4.507086030e+00 2.30 3.840591331e+00 3.840591331e+00 2.32 3.221490359e+00 3.221490359e+00 2.34 2.646925558e+00 2.646925558e+00 2.36 2.114181298e+00 2.114181298e+00 2.38 1.620668788e+00 1.620668788e+00 2.40 1.163920776e+00 1.163920776e+00 2.42 7.416297675e-01 7.416297675e-01 2.44 3.516839582e-01 3.516839582e-01 2.46 -8.120536597e-03 -8.120536597e-03 2.48 -3.398544694e-01 -3.398544694e-01 2.50 -6.454362511e-01 -6.454362511e-01 2.52 -9.266425890e-01 -9.266425890e-01 2.54 -1.185120529e+00 -1.185120529e+00 2.56 -1.422400460e+00 -1.422400460e+00 2.58 -1.639902700e+00 -1.639902700e+00 2.60 -1.838827872e+00 -1.838827872e+00 2.62 -2.020208081e+00 -2.020208081e+00 2.64 -2.185045314e+00 -2.185045314e+00 2.66 -2.334307774e+00 -2.334307774e+00 2.68 -2.468924050e+00 -2.468924050e+00 2.70 -2.589775136e+00 -2.589775136e+00 2.72 -2.697689751e+00 -2.697689751e+00 2.74 -2.793442980e+00 -2.793442980e+00 2.76 -2.877757404e+00 -2.877757404e+00 2.78 -2.951305270e+00 -2.951305270e+00 2.80 -3.014711613e+00 -3.014711613e+00 2.82 -3.068555605e+00 -3.068555605e+00 2.84 -3.113373830e+00 -3.113373830e+00 2.86 -3.149663493e+00 -3.149663493e+00 2.88 -3.177887215e+00 -3.177887215e+00 2.90 -3.198479530e+00 -3.198479530e+00 2.92 -3.211854918e+00 -3.211854918e+00 2.94 -3.218416812e+00 -3.218416812e+00 2.96 -3.218587502e+00 -3.218587502e+00 2.98 -3.212952684e+00 -3.212952684e+00 3.00 -3.201813693e+00 -3.201813693e+00 3.02 -3.185429483e+00 -3.185429483e+00 3.04 -3.164097123e+00 -3.164097123e+00 3.06 -3.138187946e+00 -3.138187946e+00 3.08 -3.108035419e+00 -3.108035419e+00 3.10 -3.073891341e+00 -3.073891341e+00 3.12 -3.036035476e+00 -3.036035476e+00 3.14 -2.994766478e+00 -2.994766478e+00 3.16 -2.950386462e+00 -2.950386462e+00 3.18 -2.903169055e+00 -2.903169055e+00 3.20 -2.853345460e+00 -2.853345460e+00 3.22 -2.801127332e+00 -2.801127332e+00 3.24 -2.746710051e+00 -2.746710051e+00 3.26 -2.690275640e+00 -2.690275640e+00 3.28 -2.631998080e+00 -2.631998080e+00 3.30 -2.572050126e+00 -2.572050126e+00 3.32 -2.510610728e+00 -2.510610728e+00 3.34 -2.447872094e+00 -2.447872094e+00 3.36 -2.384045454e+00 -2.384045454e+00 3.38 -2.319364650e+00 -2.319364650e+00 3.40 -2.254086733e+00 -2.254086733e+00 3.42 -2.188490457e+00 -2.188490457e+00 3.44 -2.122869606e+00 -2.122869606e+00 3.46 -2.057525956e+00 -2.057525956e+00 3.48 -1.992759300e+00 -1.992759300e+00 3.50 -1.928857005e+00 -1.928857005e+00 3.52 -1.866083982e+00 -1.866083982e+00 3.54 -1.804674099e+00 -1.804674099e+00 3.56 -1.744823841e+00 -1.744823841e+00 3.58 -1.686688668e+00 -1.686688668e+00 3.60 -1.630382139e+00 -1.630382139e+00 3.62 -1.575977549e+00 -1.575977549e+00 3.64 -1.523511558e+00 -1.523511558e+00 3.66 -1.472989172e+00 -1.472989172e+00 3.68 -1.424389377e+00 -1.424389377e+00 3.70 -1.377670818e+00 -1.377670818e+00 3.72 -1.332777051e+00 -1.332777051e+00 3.74 -1.289641052e+00 -1.289641052e+00 3.76 -1.248188849e+00 -1.248188849e+00 3.78 -1.208342324e+00 -1.208342324e+00 3.80 -1.170021297e+00 -1.170021297e+00 3.82 -1.133145094e+00 -1.133145094e+00 3.84 -1.097633760e+00 -1.097633760e+00 3.86 -1.063409066e+00 -1.063409066e+00 3.88 -1.030395356e+00 -1.030395356e+00 3.90 -9.985202674e-01 -9.985202674e-01 3.92 -9.677148320e-01 -9.677148320e-01 3.94 -9.379158179e-01 -9.379158179e-01 3.96 -9.090628708e-01 -9.090628708e-01 3.98 -8.811007073e-01 -8.811007073e-01 4.00 -8.539784295e-01 -8.539784295e-01 4.02 -8.276493104e-01 -8.276493104e-01 4.04 -8.020705263e-01 -8.020705263e-01 4.06 -7.772028849e-01 -7.772028849e-01 4.08 -7.530105900e-01 -7.530105900e-01 4.10 -7.294599976e-01 -7.294599976e-01 4.12 -7.065240448e-01 -7.065240448e-01 4.14 -6.841751678e-01 -6.841751678e-01 4.16 -6.623903775e-01 -6.623903775e-01 4.18 -6.411500911e-01 -6.411500911e-01 4.20 -6.204383007e-01 -6.204383007e-01 4.22 -6.002427083e-01 -6.002427083e-01 4.24 -5.805547661e-01 -5.805547661e-01 4.26 -5.613695628e-01 -5.613695628e-01 4.28 -5.426855041e-01 -5.426855041e-01 4.30 -5.245037567e-01 -5.245037567e-01 4.32 -5.068274584e-01 -5.068274584e-01 4.34 -4.896607318e-01 -4.896607318e-01 4.36 -4.730075804e-01 -4.730075804e-01 4.38 -4.568707692e-01 -4.568707692e-01 4.40 -4.412508059e-01 -4.412508059e-01 4.42 -4.261451272e-01 -4.261451272e-01 4.44 -4.115475639e-01 -4.115475639e-01 4.46 -3.974481208e-01 -3.974481208e-01 4.48 -3.838330575e-01 -3.838330575e-01 4.50 -3.706852267e-01 -3.706852267e-01 4.52 -3.579845951e-01 -3.579845951e-01 4.54 -3.457088719e-01 -3.457088719e-01 4.56 -3.338341691e-01 -3.338341691e-01 4.58 -3.223356386e-01 -3.223356386e-01 4.60 -3.111880465e-01 -3.111880465e-01 4.62 -3.003662671e-01 -3.003662671e-01 4.64 -2.898456939e-01 -2.898456939e-01 4.66 -2.796025785e-01 -2.796025785e-01 4.68 -2.696143119e-01 -2.696143119e-01 4.70 -2.598596710e-01 -2.598596710e-01 4.72 -2.503190459e-01 -2.503190459e-01 4.74 -2.409746672e-01 -2.409746672e-01 4.76 -2.318108420e-01 -2.318108420e-01 4.78 -2.228142038e-01 -2.228142038e-01 4.80 -2.139732078e-01 -2.139732078e-01 4.82 -2.052815745e-01 -2.052815745e-01 4.84 -1.967335551e-01 -1.967335551e-01 4.86 -1.883275952e-01 -1.883275952e-01 4.88 -1.800655433e-01 -1.800655433e-01 4.90 -1.719526582e-01 -1.719526582e-01 4.92 -1.639974739e-01 -1.639974739e-01 4.94 -1.562114979e-01 -1.562114979e-01 4.96 -1.486087307e-01 -1.486087307e-01 4.98 -1.412050161e-01 -1.412050161e-01 5.00 -1.340172480e-01 -1.340172480e-01 5.02 -1.270624799e-01 -1.270624799e-01 5.04 -1.203570070e-01 -1.203570070e-01 5.06 -1.139154919e-01 -1.139154919e-01 5.08 -1.077502044e-01 -1.077502044e-01 5.10 -1.018704361e-01 -1.018704361e-01 5.12 -9.628212587e-02 -9.628212587e-02 5.14 -9.098771776e-02 -9.098771776e-02 5.16 -8.598623987e-02 -8.598623987e-02 5.18 -8.127357085e-02 -8.127357085e-02 5.20 -7.684260132e-02 -7.684260132e-02 5.22 -7.268383075e-02 -7.268383075e-02 5.24 -6.878678421e-02 -6.878678421e-02 5.26 -6.513960605e-02 -6.513960605e-02 5.28 -6.172952654e-02 -6.172952654e-02 5.30 -5.854328739e-02 -5.854328739e-02 5.32 -5.556747498e-02 -5.556747498e-02 5.34 -5.278876633e-02 -5.278876633e-02 5.36 -5.019400910e-02 -5.019400910e-02 5.38 -4.777042095e-02 -4.777042095e-02 5.40 -4.550586469e-02 -4.550586469e-02 5.42 -4.338864083e-02 -4.338864083e-02 5.44 -4.140751614e-02 -4.140751614e-02 5.46 -3.955174693e-02 -3.955174693e-02 5.48 -3.781109628e-02 -3.781109628e-02 5.50 -3.617584800e-02 -3.617584800e-02 5.52 -3.463681794e-02 -3.463681794e-02 5.54 -3.318536215e-02 -3.318536215e-02 5.56 -3.181338108e-02 -3.181338108e-02 5.58 -3.051331912e-02 -3.051331912e-02 5.60 -2.927815910e-02 -2.927815910e-02 5.62 -2.810141191e-02 -2.810141191e-02 5.64 -2.697710149e-02 -2.697710149e-02 5.66 -2.589974689e-02 -2.589974689e-02 5.68 -2.486434199e-02 -2.486434199e-02 5.70 -2.386633421e-02 -2.386633421e-02 5.72 -2.290160354e-02 -2.290160354e-02 5.74 -2.196644290e-02 -2.196644290e-02 5.76 -2.105754060e-02 -2.105754060e-02 5.78 -2.017196575e-02 -2.017196575e-02 5.80 -1.930715674e-02 -1.930715674e-02 5.82 -1.846091286e-02 -1.846091286e-02 5.84 -1.763138891e-02 -1.763138891e-02 5.86 -1.681709198e-02 -1.681709198e-02 5.88 -1.601687966e-02 -1.601687966e-02 5.90 -1.522995838e-02 -1.522995838e-02 5.92 -1.445588050e-02 -1.445588050e-02 5.94 -1.369452102e-02 -1.369452102e-02 5.96 -1.294600460e-02 -1.294600460e-02 5.98 -1.221087514e-02 -1.221087514e-02 6.00 -1.148998484e-02 -1.148998484e-02