# 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 = Mo2PbTi # 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 3.684852827e+02 3.684852827e+02 1.30 3.429693240e+02 3.429693240e+02 1.32 3.192827016e+02 3.192827016e+02 1.34 2.972740460e+02 2.972740460e+02 1.36 2.768088254e+02 2.768088254e+02 1.38 2.577675745e+02 2.577675745e+02 1.40 2.400432536e+02 2.400432536e+02 1.42 2.235382897e+02 2.235382897e+02 1.44 2.081623151e+02 2.081623151e+02 1.46 1.938311955e+02 1.938311955e+02 1.48 1.804670737e+02 1.804670737e+02 1.50 1.679987526e+02 1.679987526e+02 1.52 1.563618568e+02 1.563618568e+02 1.54 1.454984304e+02 1.454984304e+02 1.56 1.353559888e+02 1.353559888e+02 1.58 1.258863792e+02 1.258863792e+02 1.60 1.170447708e+02 1.170447708e+02 1.62 1.087889456e+02 1.087889456e+02 1.64 1.010788861e+02 1.010788861e+02 1.66 9.387662024e+01 9.387662024e+01 1.68 8.714621639e+01 8.714621639e+01 1.70 8.085390421e+01 8.085390421e+01 1.72 7.496831594e+01 7.496831594e+01 1.74 6.946083466e+01 6.946083466e+01 1.76 6.430588649e+01 6.430588649e+01 1.78 5.948095318e+01 5.948095318e+01 1.80 5.496621068e+01 5.496621068e+01 1.82 5.074445825e+01 5.074445825e+01 1.84 4.680345519e+01 4.680345519e+01 1.86 4.313353309e+01 4.313353309e+01 1.88 3.972092650e+01 3.972092650e+01 1.90 3.654906815e+01 3.654906815e+01 1.92 3.360179523e+01 3.360179523e+01 1.94 3.086350539e+01 3.086350539e+01 1.96 2.831931560e+01 2.831931560e+01 1.98 2.595518708e+01 2.595518708e+01 2.00 2.375797363e+01 2.375797363e+01 2.02 2.171539051e+01 2.171539051e+01 2.04 1.981593190e+01 1.981593190e+01 2.06 1.804878952e+01 1.804878952e+01 2.08 1.640381023e+01 1.640381023e+01 2.10 1.487150327e+01 1.487150327e+01 2.12 1.344307972e+01 1.344307972e+01 2.14 1.211049574e+01 1.211049574e+01 2.16 1.086648185e+01 1.086648185e+01 2.18 9.704543297e+00 9.704543297e+00 2.20 8.618921318e+00 8.618921318e+00 2.22 7.604521208e+00 7.604521208e+00 2.24 6.656811334e+00 6.656811334e+00 2.26 5.771709077e+00 5.771709077e+00 2.28 4.945467886e+00 4.945467886e+00 2.30 4.174590676e+00 4.174590676e+00 2.32 3.455767356e+00 3.455767356e+00 2.34 2.785857763e+00 2.785857763e+00 2.36 2.161887232e+00 2.161887232e+00 2.38 1.581054068e+00 1.581054068e+00 2.40 1.040731889e+00 1.040731889e+00 2.42 5.384663012e-01 5.384663012e-01 2.44 7.196772653e-02 7.196772653e-02 2.46 -3.608943601e-01 -3.608943601e-01 2.48 -7.620961953e-01 -7.620961953e-01 2.50 -1.133463635e+00 -1.133463635e+00 2.52 -1.476676621e+00 -1.476676621e+00 2.54 -1.793275215e+00 -1.793275215e+00 2.56 -2.084667998e+00 -2.084667998e+00 2.58 -2.352143497e+00 -2.352143497e+00 2.60 -2.596884962e+00 -2.596884962e+00 2.62 -2.819958796e+00 -2.819958796e+00 2.64 -3.022161733e+00 -3.022161733e+00 2.66 -3.204619777e+00 -3.204619777e+00 2.68 -3.368500552e+00 -3.368500552e+00 2.70 -3.514922694e+00 -3.514922694e+00 2.72 -3.644969282e+00 -3.644969282e+00 2.74 -3.759695938e+00 -3.759695938e+00 2.76 -3.860144097e+00 -3.860144097e+00 2.78 -3.947361880e+00 -3.947361880e+00 2.80 -4.022084136e+00 -4.022084136e+00 2.82 -4.084669793e+00 -4.084669793e+00 2.84 -4.135490589e+00 -4.135490589e+00 2.86 -4.174968950e+00 -4.174968950e+00 2.88 -4.203576834e+00 -4.203576834e+00 2.90 -4.221837941e+00 -4.221837941e+00 2.92 -4.230331192e+00 -4.230331192e+00 2.94 -4.229676395e+00 -4.229676395e+00 2.96 -4.220473860e+00 -4.220473860e+00 2.98 -4.203365743e+00 -4.203365743e+00 3.00 -4.179047790e+00 -4.179047790e+00 3.02 -4.148246572e+00 -4.148246572e+00 3.04 -4.111690650e+00 -4.111690650e+00 3.06 -4.070081196e+00 -4.070081196e+00 3.08 -4.024058800e+00 -4.024058800e+00 3.10 -3.974181572e+00 -3.974181572e+00 3.12 -3.920909295e+00 -3.920909295e+00 3.14 -3.864603666e+00 -3.864603666e+00 3.16 -3.805528833e+00 -3.805528833e+00 3.18 -3.743868260e+00 -3.743868260e+00 3.20 -3.679739450e+00 -3.679739450e+00 3.22 -3.613210197e+00 -3.613210197e+00 3.24 -3.544314023e+00 -3.544314023e+00 3.26 -3.473064746e+00 -3.473064746e+00 3.28 -3.399470678e+00 -3.399470678e+00 3.30 -3.323548901e+00 -3.323548901e+00 3.32 -3.245356804e+00 -3.245356804e+00 3.34 -3.165022546e+00 -3.165022546e+00 3.36 -3.082556550e+00 -3.082556550e+00 3.38 -2.998029856e+00 -2.998029856e+00 3.40 -2.911609267e+00 -2.911609267e+00 3.42 -2.823554260e+00 -2.823554260e+00 3.44 -2.734164435e+00 -2.734164435e+00 3.46 -2.643812022e+00 -2.643812022e+00 3.48 -2.552958690e+00 -2.552958690e+00 3.50 -2.462131467e+00 -2.462131467e+00 3.52 -2.371893433e+00 -2.371893433e+00 3.54 -2.282812175e+00 -2.282812175e+00 3.56 -2.195429079e+00 -2.195429079e+00 3.58 -2.110232398e+00 -2.110232398e+00 3.60 -2.027636435e+00 -2.027636435e+00 3.62 -1.947968325e+00 -1.947968325e+00 3.64 -1.871462852e+00 -1.871462852e+00 3.66 -1.798264650e+00 -1.798264650e+00 3.68 -1.728436302e+00 -1.728436302e+00 3.70 -1.661970304e+00 -1.661970304e+00 3.72 -1.598802851e+00 -1.598802851e+00 3.74 -1.538827645e+00 -1.538827645e+00 3.76 -1.481908489e+00 -1.481908489e+00 3.78 -1.427889975e+00 -1.427889975e+00 3.80 -1.376606065e+00 -1.376606065e+00 3.82 -1.327886703e+00 -1.327886703e+00 3.84 -1.281562748e+00 -1.281562748e+00 3.86 -1.237469569e+00 -1.237469569e+00 3.88 -1.195449604e+00 -1.195449604e+00 3.90 -1.155354100e+00 -1.155354100e+00 3.92 -1.117043758e+00 -1.117043758e+00 3.94 -1.080391250e+00 -1.080391250e+00 3.96 -1.045278322e+00 -1.045278322e+00 3.98 -1.011597769e+00 -1.011597769e+00 4.00 -9.792524252e-01 -9.792524252e-01 4.02 -9.481545566e-01 -9.481545566e-01 4.04 -9.182251318e-01 -9.182251318e-01 4.06 -8.893930413e-01 -8.893930413e-01 4.08 -8.615943045e-01 -8.615943045e-01 4.10 -8.347698930e-01 -8.347698930e-01 4.12 -8.088708799e-01 -8.088708799e-01 4.14 -7.838485202e-01 -7.838485202e-01 4.16 -7.596601377e-01 -7.596601377e-01 4.18 -7.362668621e-01 -7.362668621e-01 4.20 -7.136331480e-01 -7.136331480e-01 4.22 -6.917263544e-01 -6.917263544e-01 4.24 -6.705163768e-01 -6.705163768e-01 4.26 -6.499753276e-01 -6.499753276e-01 4.28 -6.300772599e-01 -6.300772599e-01 4.30 -6.107979270e-01 -6.107979270e-01 4.32 -5.921145763e-01 -5.921145763e-01 4.34 -5.740057690e-01 -5.740057690e-01 4.36 -5.564512252e-01 -5.564512252e-01 4.38 -5.394316890e-01 -5.394316890e-01 4.40 -5.229288108e-01 -5.229288108e-01 4.42 -5.069250449e-01 -5.069250449e-01 4.44 -4.914035591e-01 -4.914035591e-01 4.46 -4.763481559e-01 -4.763481559e-01 4.48 -4.617432019e-01 -4.617432019e-01 4.50 -4.475735659e-01 -4.475735659e-01 4.52 -4.338245629e-01 -4.338245629e-01 4.54 -4.204819055e-01 -4.204819055e-01 4.56 -4.075316594e-01 -4.075316594e-01 4.58 -3.949602057e-01 -3.949602057e-01 4.60 -3.827542076e-01 -3.827542076e-01 4.62 -3.709005839e-01 -3.709005839e-01 4.64 -3.593864884e-01 -3.593864884e-01 4.66 -3.481992984e-01 -3.481992984e-01 4.68 -3.373266109e-01 -3.373266109e-01 4.70 -3.267562517e-01 -3.267562517e-01 4.72 -3.164762966e-01 -3.164762966e-01 4.74 -3.064751093e-01 -3.064751093e-01 4.76 -2.967413969e-01 -2.967413969e-01 4.78 -2.872642846e-01 -2.872642846e-01 4.80 -2.780325902e-01 -2.780325902e-01 4.82 -2.690383595e-01 -2.690383595e-01 4.84 -2.602716489e-01 -2.602716489e-01 4.86 -2.517243992e-01 -2.517243992e-01 4.88 -2.433895999e-01 -2.433895999e-01 4.90 -2.352614193e-01 -2.352614193e-01 4.92 -2.273353047e-01 -2.273353047e-01 4.94 -2.196080329e-01 -2.196080329e-01 4.96 -2.120776912e-01 -2.120776912e-01 4.98 -2.047435754e-01 -2.047435754e-01 5.00 -1.976060000e-01 -1.976060000e-01 5.02 -1.906660243e-01 -1.906660243e-01 5.04 -1.839251135e-01 -1.839251135e-01 5.06 -1.773847648e-01 -1.773847648e-01 5.08 -1.710459766e-01 -1.710459766e-01 5.10 -1.649088568e-01 -1.649088568e-01 5.12 -1.589732565e-01 -1.589732565e-01 5.14 -1.532379225e-01 -1.532379225e-01 5.16 -1.477004032e-01 -1.477004032e-01 5.18 -1.423571137e-01 -1.423571137e-01 5.20 -1.372034754e-01 -1.372034754e-01 5.22 -1.322341006e-01 -1.322341006e-01 5.24 -1.274429894e-01 -1.274429894e-01 5.26 -1.228236952e-01 -1.228236952e-01 5.28 -1.183694096e-01 -1.183694096e-01 5.30 -1.140732773e-01 -1.140732773e-01 5.32 -1.099283573e-01 -1.099283573e-01 5.34 -1.059276271e-01 -1.059276271e-01 5.36 -1.020639894e-01 -1.020639894e-01 5.38 -9.833026673e-02 -9.833026673e-02 5.40 -9.471919513e-02 -9.471919513e-02 5.42 -9.122342786e-02 -9.122342786e-02 5.44 -8.783555432e-02 -8.783555432e-02 5.46 -8.454813874e-02 -8.454813874e-02 5.48 -8.135377910e-02 -8.135377910e-02 5.50 -7.824518542e-02 -7.824518542e-02 5.52 -7.521527493e-02 -7.521527493e-02 5.54 -7.225728069e-02 -7.225728069e-02 5.56 -6.936487001e-02 -6.936487001e-02 5.58 -6.653226840e-02 -6.653226840e-02 5.60 -6.375438431e-02 -6.375438431e-02 5.62 -6.102692924e-02 -6.102692924e-02 5.64 -5.834652670e-02 -5.834652670e-02 5.66 -5.571080277e-02 -5.571080277e-02 5.68 -5.311844981e-02 -5.311844981e-02 5.70 -5.056925445e-02 -5.056925445e-02 5.72 -4.806408389e-02 -4.806408389e-02 5.74 -4.560482353e-02 -4.560482353e-02 5.76 -4.319426118e-02 -4.319426118e-02 5.78 -4.083592295e-02 -4.083592295e-02 5.80 -3.853386713e-02 -3.853386713e-02 5.82 -3.629244854e-02 -3.629244854e-02 5.84 -3.411607052e-02 -3.411607052e-02 5.86 -3.200894387e-02 -3.200894387e-02 5.88 -2.997486770e-02 -2.997486770e-02 5.90 -2.801705979e-02 -2.801705979e-02 5.92 -2.613803872e-02 -2.613803872e-02 5.94 -2.433956467e-02 -2.433956467e-02 5.96 -2.262263749e-02 -2.262263749e-02 5.98 -2.098754419e-02 -2.098754419e-02 6.00 -1.943394329e-02 -1.943394329e-02