# 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 = FeMo2Pb # 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 3.376835636e+02 3.376835636e+02 1.30 3.130114747e+02 3.130114747e+02 1.32 2.901842532e+02 2.901842532e+02 1.34 2.690458419e+02 2.690458419e+02 1.36 2.494551683e+02 2.494551683e+02 1.38 2.312859030e+02 2.312859030e+02 1.40 2.144253599e+02 2.144253599e+02 1.42 1.987725648e+02 1.987725648e+02 1.44 1.842361701e+02 1.842361701e+02 1.46 1.707328017e+02 1.707328017e+02 1.48 1.581860363e+02 1.581860363e+02 1.50 1.465258366e+02 1.465258366e+02 1.52 1.356881347e+02 1.356881347e+02 1.54 1.256142858e+02 1.256142858e+02 1.56 1.162503519e+02 1.162503519e+02 1.58 1.075463665e+02 1.075463665e+02 1.60 9.945571327e+01 9.945571327e+01 1.62 9.193467086e+01 9.193467086e+01 1.64 8.494207221e+01 8.494207221e+01 1.66 7.843906352e+01 7.843906352e+01 1.68 7.238895326e+01 7.238895326e+01 1.70 6.675723427e+01 6.675723427e+01 1.72 6.151179360e+01 6.151179360e+01 1.74 5.662325949e+01 5.662325949e+01 1.76 5.206763441e+01 5.206763441e+01 1.78 4.782568522e+01 4.782568522e+01 1.80 4.388320797e+01 4.388320797e+01 1.82 4.022363466e+01 4.022363466e+01 1.84 3.682906698e+01 3.682906698e+01 1.86 3.368276252e+01 3.368276252e+01 1.88 3.076879462e+01 3.076879462e+01 1.90 2.807187003e+01 2.807187003e+01 1.92 2.557726857e+01 2.557726857e+01 1.94 2.327084923e+01 2.327084923e+01 1.96 2.113907430e+01 2.113907430e+01 1.98 1.916903716e+01 1.916903716e+01 2.00 1.734847660e+01 1.734847660e+01 2.02 1.566578089e+01 1.566578089e+01 2.04 1.410998469e+01 1.410998469e+01 2.06 1.267076781e+01 1.267076781e+01 2.08 1.133846074e+01 1.133846074e+01 2.10 1.010406431e+01 1.010406431e+01 2.12 8.959280528e+00 8.959280528e+00 2.14 7.896547025e+00 7.896547025e+00 2.16 6.909064063e+00 6.909064063e+00 2.18 5.990797344e+00 5.990797344e+00 2.20 5.136442779e+00 5.136442779e+00 2.22 4.341358233e+00 4.341358233e+00 2.24 3.601469211e+00 3.601469211e+00 2.26 2.913166073e+00 2.913166073e+00 2.28 2.273203184e+00 2.273203184e+00 2.30 1.678619318e+00 1.678619318e+00 2.32 1.126666132e+00 1.126666132e+00 2.34 6.147686744e-01 6.147686744e-01 2.36 1.404931786e-01 1.404931786e-01 2.38 -2.984655612e-01 -2.984655612e-01 2.40 -7.042876997e-01 -7.042876997e-01 2.42 -1.079025569e+00 -1.079025569e+00 2.44 -1.424599655e+00 -1.424599655e+00 2.46 -1.742794893e+00 -1.742794893e+00 2.48 -2.035260164e+00 -2.035260164e+00 2.50 -2.303307539e+00 -2.303307539e+00 2.52 -2.548328207e+00 -2.548328207e+00 2.54 -2.771863797e+00 -2.771863797e+00 2.56 -2.975302244e+00 -2.975302244e+00 2.58 -3.159897159e+00 -3.159897159e+00 2.60 -3.326785640e+00 -3.326785640e+00 2.62 -3.477004095e+00 -3.477004095e+00 2.64 -3.611506525e+00 -3.611506525e+00 2.66 -3.731042994e+00 -3.731042994e+00 2.68 -3.835943358e+00 -3.835943358e+00 2.70 -3.926497104e+00 -3.926497104e+00 2.72 -4.003028482e+00 -4.003028482e+00 2.74 -4.065888656e+00 -4.065888656e+00 2.76 -4.115450102e+00 -4.115450102e+00 2.78 -4.152104181e+00 -4.152104181e+00 2.80 -4.176263391e+00 -4.176263391e+00 2.82 -4.188367258e+00 -4.188367258e+00 2.84 -4.188893442e+00 -4.188893442e+00 2.86 -4.178371280e+00 -4.178371280e+00 2.88 -4.157398483e+00 -4.157398483e+00 2.90 -4.126644131e+00 -4.126644131e+00 2.92 -4.086859010e+00 -4.086859010e+00 2.94 -4.038875425e+00 -4.038875425e+00 2.96 -3.983595068e+00 -3.983595068e+00 2.98 -3.921967236e+00 -3.921967236e+00 3.00 -3.854959102e+00 -3.854959102e+00 3.02 -3.783521369e+00 -3.783521369e+00 3.04 -3.708542796e+00 -3.708542796e+00 3.06 -3.630737741e+00 -3.630737741e+00 3.08 -3.550677528e+00 -3.550677528e+00 3.10 -3.468835027e+00 -3.468835027e+00 3.12 -3.385580374e+00 -3.385580374e+00 3.14 -3.301191650e+00 -3.301191650e+00 3.16 -3.215861649e+00 -3.215861649e+00 3.18 -3.129719683e+00 -3.129719683e+00 3.20 -3.042849118e+00 -3.042849118e+00 3.22 -2.955355490e+00 -2.955355490e+00 3.24 -2.867231555e+00 -2.867231555e+00 3.26 -2.778415124e+00 -2.778415124e+00 3.28 -2.688858491e+00 -2.688858491e+00 3.30 -2.598538082e+00 -2.598538082e+00 3.32 -2.507457173e+00 -2.507457173e+00 3.34 -2.415615083e+00 -2.415615083e+00 3.36 -2.323052418e+00 -2.323052418e+00 3.38 -2.229885555e+00 -2.229885555e+00 3.40 -2.136315793e+00 -2.136315793e+00 3.42 -2.042634291e+00 -2.042634291e+00 3.44 -1.949218041e+00 -1.949218041e+00 3.46 -1.856519485e+00 -1.856519485e+00 3.48 -1.765046980e+00 -1.765046980e+00 3.50 -1.675338835e+00 -1.675338835e+00 3.52 -1.587933482e+00 -1.587933482e+00 3.54 -1.503339254e+00 -1.503339254e+00 3.56 -1.422007255e+00 -1.422007255e+00 3.58 -1.344310197e+00 -1.344310197e+00 3.60 -1.270528960e+00 -1.270528960e+00 3.62 -1.200847350e+00 -1.200847350e+00 3.64 -1.135354399e+00 -1.135354399e+00 3.66 -1.074052650e+00 -1.074052650e+00 3.68 -1.016870502e+00 -1.016870502e+00 3.70 -9.636765800e-01 -9.636765800e-01 3.72 -9.142944064e-01 -9.142944064e-01 3.74 -8.685160505e-01 -8.685160505e-01 3.76 -8.261139770e-01 -8.261139770e-01 3.78 -7.868507531e-01 -7.868507531e-01 3.80 -7.504866492e-01 -7.504866492e-01 3.82 -7.167853847e-01 -7.167853847e-01 3.84 -6.855183590e-01 -6.855183590e-01 3.86 -6.564676994e-01 -6.564676994e-01 3.88 -6.294283895e-01 -6.294283895e-01 3.90 -6.042096690e-01 -6.042096690e-01 3.92 -5.806353616e-01 -5.806353616e-01 3.94 -5.585461251e-01 -5.585461251e-01 3.96 -5.377962079e-01 -5.377962079e-01 3.98 -5.182551332e-01 -5.182551332e-01 4.00 -4.998063637e-01 -4.998063637e-01 4.02 -4.823463328e-01 -4.823463328e-01 4.04 -4.657833675e-01 -4.657833675e-01 4.06 -4.500365650e-01 -4.500365650e-01 4.08 -4.350340611e-01 -4.350340611e-01 4.10 -4.207117794e-01 -4.207117794e-01 4.12 -4.070182301e-01 -4.070182301e-01 4.14 -3.939034056e-01 -3.939034056e-01 4.16 -3.813246103e-01 -3.813246103e-01 4.18 -3.692440707e-01 -3.692440707e-01 4.20 -3.576283169e-01 -3.576283169e-01 4.22 -3.464476226e-01 -3.464476226e-01 4.24 -3.356755070e-01 -3.356755070e-01 4.26 -3.252882982e-01 -3.252882982e-01 4.28 -3.152647524e-01 -3.152647524e-01 4.30 -3.055857253e-01 -3.055857253e-01 4.32 -2.962338886e-01 -2.962338886e-01 4.34 -2.871934868e-01 -2.871934868e-01 4.36 -2.784501290e-01 -2.784501290e-01 4.38 -2.699906097e-01 -2.699906097e-01 4.40 -2.618027563e-01 -2.618027563e-01 4.42 -2.538752982e-01 -2.538752982e-01 4.44 -2.461977547e-01 -2.461977547e-01 4.46 -2.387603384e-01 -2.387603384e-01 4.48 -2.315538731e-01 -2.315538731e-01 4.50 -2.245697223e-01 -2.245697223e-01 4.52 -2.177997280e-01 -2.177997280e-01 4.54 -2.112361575e-01 -2.112361575e-01 4.56 -2.048716576e-01 -2.048716576e-01 4.58 -1.986992141e-01 -1.986992141e-01 4.60 -1.927121169e-01 -1.927121169e-01 4.62 -1.869039293e-01 -1.869039293e-01 4.64 -1.812684610e-01 -1.812684610e-01 4.66 -1.757997440e-01 -1.757997440e-01 4.68 -1.704920115e-01 -1.704920115e-01 4.70 -1.653396798e-01 -1.653396798e-01 4.72 -1.603373310e-01 -1.603373310e-01 4.74 -1.554796993e-01 -1.554796993e-01 4.76 -1.507616582e-01 -1.507616582e-01 4.78 -1.461782103e-01 -1.461782103e-01 4.80 -1.417236833e-01 -1.417236833e-01 4.82 -1.373950328e-01 -1.373950328e-01 4.84 -1.331866622e-01 -1.331866622e-01 4.86 -1.290940308e-01 -1.290940308e-01 4.88 -1.251127071e-01 -1.251127071e-01 4.90 -1.212383736e-01 -1.212383736e-01 4.92 -1.174668346e-01 -1.174668346e-01 4.94 -1.137940285e-01 -1.137940285e-01 4.96 -1.102160438e-01 -1.102160438e-01 4.98 -1.067291402e-01 -1.067291402e-01 5.00 -1.033297730e-01 -1.033297730e-01 5.02 -1.000146231e-01 -1.000146231e-01 5.04 -9.678062920e-02 -9.678062920e-02 5.06 -9.362502325e-02 -9.362502325e-02 5.08 -9.054536595e-02 -9.054536595e-02 5.10 -8.753958109e-02 -8.753958109e-02 5.12 -8.460598531e-02 -8.460598531e-02 5.14 -8.174330978e-02 -8.174330978e-02 5.16 -7.895071016e-02 -7.895071016e-02 5.18 -7.622776117e-02 -7.622776117e-02 5.20 -7.357443251e-02 -7.357443251e-02 5.22 -7.099104416e-02 -7.099104416e-02 5.24 -6.847820027e-02 -6.847820027e-02 5.26 -6.603667801e-02 -6.603667801e-02 5.28 -6.366722740e-02 -6.366722740e-02 5.30 -6.137076865e-02 -6.137076865e-02 5.32 -5.914811766e-02 -5.914811766e-02 5.34 -5.699983613e-02 -5.699983613e-02 5.36 -5.492613411e-02 -5.492613411e-02 5.38 -5.292679455e-02 -5.292679455e-02 5.40 -5.100112238e-02 -5.100112238e-02 5.42 -4.914792217e-02 -4.914792217e-02 5.44 -4.736550344e-02 -4.736550344e-02 5.46 -4.565171076e-02 -4.565171076e-02 5.48 -4.400397377e-02 -4.400397377e-02 5.50 -4.241937144e-02 -4.241937144e-02 5.52 -4.089470436e-02 -4.089470436e-02 5.54 -3.942656983e-02 -3.942656983e-02 5.56 -3.801143476e-02 -3.801143476e-02 5.58 -3.664570325e-02 -3.664570325e-02 5.60 -3.532577666e-02 -3.532577666e-02 5.62 -3.404810506e-02 -3.404810506e-02 5.64 -3.280922895e-02 -3.280922895e-02 5.66 -3.160581479e-02 -3.160581479e-02 5.68 -3.043468305e-02 -3.043468305e-02 5.70 -2.929283090e-02 -2.929283090e-02 5.72 -2.817745095e-02 -2.817745095e-02 5.74 -2.708594763e-02 -2.708594763e-02 5.76 -2.601595230e-02 -2.601595230e-02 5.78 -2.496533810e-02 -2.496533810e-02 5.80 -2.393223528e-02 -2.393223528e-02 5.82 -2.291504707e-02 -2.291504707e-02 5.84 -2.191246626e-02 -2.191246626e-02 5.86 -2.092349179e-02 -2.092349179e-02 5.88 -1.994744457e-02 -1.994744457e-02 5.90 -1.898398125e-02 -1.898398125e-02 5.92 -1.803310435e-02 -1.803310435e-02 5.94 -1.709515070e-02 -1.709515070e-02 5.96 -1.617073040e-02 -1.617073040e-02 5.98 -1.526088926e-02 -1.526088926e-02 6.00 -1.436700496e-02 -1.436700496e-02