# 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 = CuPbPt2 # 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 3.342761127e+02 3.342761127e+02 1.30 3.119757356e+02 3.119757356e+02 1.32 2.911469789e+02 2.911469789e+02 1.34 2.716902494e+02 2.716902494e+02 1.36 2.535087741e+02 2.535087741e+02 1.38 2.365089611e+02 2.365089611e+02 1.40 2.206041950e+02 2.206041950e+02 1.42 2.057176654e+02 2.057176654e+02 1.44 1.917804000e+02 1.917804000e+02 1.46 1.787276322e+02 1.787276322e+02 1.48 1.664982814e+02 1.664982814e+02 1.50 1.550361204e+02 1.550361204e+02 1.52 1.442887645e+02 1.442887645e+02 1.54 1.342048723e+02 1.342048723e+02 1.56 1.247328964e+02 1.247328964e+02 1.58 1.158223326e+02 1.158223326e+02 1.60 1.074259358e+02 1.074259358e+02 1.62 9.950126139e+01 9.950126139e+01 1.64 9.201123901e+01 9.201123901e+01 1.66 8.492421507e+01 8.492421507e+01 1.68 7.821401310e+01 7.821401310e+01 1.70 7.185997408e+01 7.185997408e+01 1.72 6.584788046e+01 6.584788046e+01 1.74 6.025176408e+01 6.025176408e+01 1.76 5.509661524e+01 5.509661524e+01 1.78 5.035102423e+01 5.035102423e+01 1.80 4.598262519e+01 4.598262519e+01 1.82 4.195965712e+01 4.195965712e+01 1.84 3.825277176e+01 3.825277176e+01 1.86 3.483611354e+01 3.483611354e+01 1.88 3.168735163e+01 3.168735163e+01 1.90 2.878678438e+01 2.878678438e+01 1.92 2.611612258e+01 2.611612258e+01 1.94 2.365760734e+01 2.365760734e+01 1.96 2.139386753e+01 2.139386753e+01 1.98 1.930830261e+01 1.930830261e+01 2.00 1.738557535e+01 1.738557535e+01 2.02 1.561189962e+01 1.561189962e+01 2.04 1.397505378e+01 1.397505378e+01 2.06 1.246421108e+01 1.246421108e+01 2.08 1.106970109e+01 1.106970109e+01 2.10 9.782786649e+00 9.782786649e+00 2.12 8.595478136e+00 8.595478136e+00 2.14 7.500411181e+00 7.500411181e+00 2.16 6.490779253e+00 6.490779253e+00 2.18 5.560312616e+00 5.560312616e+00 2.20 4.703275091e+00 4.703275091e+00 2.22 3.914457249e+00 3.914457249e+00 2.24 3.189147292e+00 3.189147292e+00 2.26 2.523079892e+00 2.523079892e+00 2.28 1.912365573e+00 1.912365573e+00 2.30 1.353419990e+00 1.353419990e+00 2.32 8.428888125e-01 8.428888125e-01 2.34 3.775899893e-01 3.775899893e-01 2.36 -4.552806667e-02 -4.552806667e-02 2.38 -4.294099602e-01 -4.294099602e-01 2.40 -7.769041725e-01 -7.769041725e-01 2.42 -1.090766125e+00 -1.090766125e+00 2.44 -1.373656264e+00 -1.373656264e+00 2.46 -1.628131416e+00 -1.628131416e+00 2.48 -1.856855327e+00 -1.856855327e+00 2.50 -2.064321271e+00 -2.064321271e+00 2.52 -2.252599317e+00 -2.252599317e+00 2.54 -2.423015228e+00 -2.423015228e+00 2.56 -2.576868461e+00 -2.576868461e+00 2.58 -2.715391821e+00 -2.715391821e+00 2.60 -2.839713513e+00 -2.839713513e+00 2.62 -2.950832035e+00 -2.950832035e+00 2.64 -3.049613915e+00 -3.049613915e+00 2.66 -3.136804265e+00 -3.136804265e+00 2.68 -3.213054004e+00 -3.213054004e+00 2.70 -3.278944484e+00 -3.278944484e+00 2.72 -3.335006287e+00 -3.335006287e+00 2.74 -3.381728994e+00 -3.381728994e+00 2.76 -3.419563695e+00 -3.419563695e+00 2.78 -3.448922457e+00 -3.448922457e+00 2.80 -3.470181570e+00 -3.470181570e+00 2.82 -3.483825812e+00 -3.483825812e+00 2.84 -3.490165092e+00 -3.490165092e+00 2.86 -3.489398490e+00 -3.489398490e+00 2.88 -3.481782021e+00 -3.481782021e+00 2.90 -3.467648455e+00 -3.467648455e+00 2.92 -3.447424714e+00 -3.447424714e+00 2.94 -3.421640871e+00 -3.421640871e+00 2.96 -3.390924995e+00 -3.390924995e+00 2.98 -3.355980478e+00 -3.355980478e+00 3.00 -3.317546893e+00 -3.317546893e+00 3.02 -3.276356132e+00 -3.276356132e+00 3.04 -3.233087587e+00 -3.233087587e+00 3.06 -3.188321368e+00 -3.188321368e+00 3.08 -3.142513077e+00 -3.142513077e+00 3.10 -3.095994720e+00 -3.095994720e+00 3.12 -3.048986781e+00 -3.048986781e+00 3.14 -3.001623941e+00 -3.001623941e+00 3.16 -2.953973574e+00 -2.953973574e+00 3.18 -2.906061385e+00 -2.906061385e+00 3.20 -2.857886899e+00 -2.857886899e+00 3.22 -2.809434774e+00 -2.809434774e+00 3.24 -2.760681971e+00 -2.760681971e+00 3.26 -2.711602369e+00 -2.711602369e+00 3.28 -2.662170323e+00 -2.662170323e+00 3.30 -2.612364038e+00 -2.612364038e+00 3.32 -2.562169025e+00 -2.562169025e+00 3.34 -2.511588211e+00 -2.511588211e+00 3.36 -2.460705027e+00 -2.460705027e+00 3.38 -2.409656244e+00 -2.409656244e+00 3.40 -2.358566150e+00 -2.358566150e+00 3.42 -2.307526923e+00 -2.307526923e+00 3.44 -2.256630356e+00 -2.256630356e+00 3.46 -2.205967514e+00 -2.205967514e+00 3.48 -2.155626825e+00 -2.155626825e+00 3.50 -2.105692033e+00 -2.105692033e+00 3.52 -2.056240243e+00 -2.056240243e+00 3.54 -2.007340297e+00 -2.007340297e+00 3.56 -1.959051626e+00 -1.959051626e+00 3.58 -1.911422834e+00 -1.911422834e+00 3.60 -1.864487796e+00 -1.864487796e+00 3.62 -1.818268873e+00 -1.818268873e+00 3.64 -1.772780446e+00 -1.772780446e+00 3.66 -1.728029849e+00 -1.728029849e+00 3.68 -1.684018642e+00 -1.684018642e+00 3.70 -1.640744072e+00 -1.640744072e+00 3.72 -1.598200603e+00 -1.598200603e+00 3.74 -1.556381411e+00 -1.556381411e+00 3.76 -1.515279728e+00 -1.515279728e+00 3.78 -1.474889922e+00 -1.474889922e+00 3.80 -1.435208224e+00 -1.435208224e+00 3.82 -1.396233028e+00 -1.396233028e+00 3.84 -1.357964732e+00 -1.357964732e+00 3.86 -1.320405164e+00 -1.320405164e+00 3.88 -1.283556681e+00 -1.283556681e+00 3.90 -1.247421130e+00 -1.247421130e+00 3.92 -1.211998570e+00 -1.211998570e+00 3.94 -1.177287844e+00 -1.177287844e+00 3.96 -1.143284349e+00 -1.143284349e+00 3.98 -1.109981739e+00 -1.109981739e+00 4.00 -1.077372375e+00 -1.077372375e+00 4.02 -1.045448571e+00 -1.045448571e+00 4.04 -1.014204078e+00 -1.014204078e+00 4.06 -9.836355897e-01 -9.836355897e-01 4.08 -9.537440191e-01 -9.537440191e-01 4.10 -9.245346934e-01 -9.245346934e-01 4.12 -8.960202277e-01 -8.960202277e-01 4.14 -8.682156917e-01 -8.682156917e-01 4.16 -8.411402466e-01 -8.411402466e-01 4.18 -8.148142703e-01 -8.148142703e-01 4.20 -7.892568004e-01 -7.892568004e-01 4.22 -7.644828082e-01 -7.644828082e-01 4.24 -7.405006666e-01 -7.405006666e-01 4.26 -7.173101564e-01 -7.173101564e-01 4.28 -6.949012624e-01 -6.949012624e-01 4.30 -6.732538685e-01 -6.732538685e-01 4.32 -6.523383070e-01 -6.523383070e-01 4.34 -6.321165841e-01 -6.321165841e-01 4.36 -6.125440228e-01 -6.125440228e-01 4.38 -5.935710489e-01 -5.935710489e-01 4.40 -5.751448807e-01 -5.751448807e-01 4.42 -5.572109583e-01 -5.572109583e-01 4.44 -5.397140339e-01 -5.397140339e-01 4.46 -5.225989274e-01 -5.225989274e-01 4.48 -5.058110099e-01 -5.058110099e-01 4.50 -4.892965200e-01 -4.892965200e-01 4.52 -4.730028250e-01 -4.730028250e-01 4.54 -4.568787363e-01 -4.568787363e-01 4.56 -4.408749674e-01 -4.408749674e-01 4.58 -4.249447959e-01 -4.249447959e-01 4.60 -4.090449653e-01 -4.090449653e-01 4.62 -3.931368342e-01 -3.931368342e-01 4.64 -3.771877544e-01 -3.771877544e-01 4.66 -3.611726317e-01 -3.611726317e-01 4.68 -3.450755961e-01 -3.450755961e-01 4.70 -3.288916710e-01 -3.288916710e-01 4.72 -3.126283052e-01 -3.126283052e-01 4.74 -2.963065955e-01 -2.963065955e-01 4.76 -2.799620147e-01 -2.799620147e-01 4.78 -2.636444602e-01 -2.636444602e-01 4.80 -2.474167529e-01 -2.474167529e-01 4.82 -2.313558790e-01 -2.313558790e-01 4.84 -2.155457179e-01 -2.155457179e-01 4.86 -2.000767787e-01 -2.000767787e-01 4.88 -1.850412778e-01 -1.850412778e-01 4.90 -1.705287753e-01 -1.705287753e-01 4.92 -1.566219033e-01 -1.566219033e-01 4.94 -1.433925656e-01 -1.433925656e-01 4.96 -1.308989320e-01 -1.308989320e-01 4.98 -1.191834507e-01 -1.191834507e-01 5.00 -1.082719736e-01 -1.082719736e-01 5.02 -9.817396045e-02 -9.817396045e-02 5.04 -8.888361623e-02 -8.888361623e-02 5.06 -8.038174215e-02 -8.038174215e-02 5.08 -7.263804754e-02 -7.263804754e-02 5.10 -6.561367337e-02 -6.561367337e-02 5.12 -5.926371030e-02 -5.926371030e-02 5.14 -5.353953548e-02 -5.353953548e-02 5.16 -4.839087650e-02 -4.839087650e-02 5.18 -4.376752150e-02 -4.376752150e-02 5.20 -3.962064827e-02 -3.962064827e-02 5.22 -3.590380033e-02 -3.590380033e-02 5.24 -3.257354261e-02 -3.257354261e-02 5.26 -2.958965989e-02 -2.958965989e-02 5.28 -2.691510110e-02 -2.691510110e-02 5.30 -2.451741180e-02 -2.451741180e-02 5.32 -2.236735100e-02 -2.236735100e-02 5.34 -2.043862855e-02 -2.043862855e-02 5.36 -1.870771575e-02 -1.870771575e-02 5.38 -1.715356554e-02 -1.715356554e-02 5.40 -1.575731384e-02 -1.575731384e-02 5.42 -1.450228813e-02 -1.450228813e-02 5.44 -1.337355795e-02 -1.337355795e-02 5.46 -1.235771207e-02 -1.235771207e-02 5.48 -1.144268615e-02 -1.144268615e-02 5.50 -1.061761509e-02 -1.061761509e-02 5.52 -9.872707810e-03 -9.872707810e-03 5.54 -9.199141048e-03 -9.199141048e-03 5.56 -8.588968457e-03 -8.588968457e-03 5.58 -8.035041575e-03 -8.035041575e-03 5.60 -7.530939561e-03 -7.530939561e-03 5.62 -7.070905569e-03 -7.070905569e-03 5.64 -6.649790895e-03 -6.649790895e-03 5.66 -6.263000357e-03 -6.263000357e-03 5.68 -5.906442465e-03 -5.906442465e-03 5.70 -5.576483268e-03 -5.576483268e-03 5.72 -5.269903621e-03 -5.269903621e-03 5.74 -4.983859890e-03 -4.983859890e-03 5.76 -4.715848078e-03 -4.715848078e-03 5.78 -4.463671364e-03 -4.463671364e-03 5.80 -4.225410979e-03 -4.225410979e-03 5.82 -3.999400270e-03 -3.999400270e-03 5.84 -3.784201741e-03 -3.784201741e-03 5.86 -3.578586776e-03 -3.578586776e-03 5.88 -3.381517696e-03 -3.381517696e-03 5.90 -3.192131728e-03 -3.192131728e-03 5.92 -3.009726441e-03 -3.009726441e-03 5.94 -2.833792394e-03 -2.833792394e-03 5.96 -2.664167024e-03 -2.664167024e-03 5.98 -2.500527410e-03 -2.500527410e-03 6.00 -2.342608408e-03 -2.342608408e-03