# 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 = FeMo2Ta # 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 3.006060049e+02 3.006060049e+02 1.30 2.772005510e+02 2.772005510e+02 1.32 2.556222594e+02 2.556222594e+02 1.34 2.357083778e+02 2.357083778e+02 1.36 2.173111640e+02 2.173111640e+02 1.38 2.002982524e+02 2.002982524e+02 1.40 1.845527444e+02 1.845527444e+02 1.42 1.699723119e+02 1.699723119e+02 1.44 1.564670157e+02 1.564670157e+02 1.46 1.439563861e+02 1.439563861e+02 1.48 1.323668111e+02 1.323668111e+02 1.50 1.216300298e+02 1.216300298e+02 1.52 1.116828159e+02 1.116828159e+02 1.54 1.024672947e+02 1.024672947e+02 1.56 9.393116031e+01 9.393116031e+01 1.58 8.602734219e+01 8.602734219e+01 1.60 7.871311180e+01 7.871311180e+01 1.62 7.194892650e+01 7.194892650e+01 1.64 6.569737744e+01 6.569737744e+01 1.66 5.992249238e+01 5.992249238e+01 1.68 5.458945964e+01 5.458945964e+01 1.70 4.966468645e+01 4.966468645e+01 1.72 4.511603640e+01 4.511603640e+01 1.74 4.091310495e+01 4.091310495e+01 1.76 3.702745233e+01 3.702745233e+01 1.78 3.343277879e+01 3.343277879e+01 1.80 3.010506158e+01 3.010506158e+01 1.82 2.702470190e+01 2.702470190e+01 1.84 2.417647506e+01 2.417647506e+01 1.86 2.154553320e+01 2.154553320e+01 1.88 1.911869662e+01 1.911869662e+01 1.90 1.688165348e+01 1.688165348e+01 1.92 1.482140187e+01 1.482140187e+01 1.94 1.292581698e+01 1.292581698e+01 1.96 1.118334774e+01 1.118334774e+01 1.98 9.582851278e+00 9.582851278e+00 2.00 8.113551118e+00 8.113551118e+00 2.02 6.765083411e+00 6.765083411e+00 2.04 5.527586276e+00 5.527586276e+00 2.06 4.391789883e+00 4.391789883e+00 2.08 3.349079347e+00 3.349079347e+00 2.10 2.391524686e+00 2.391524686e+00 2.12 1.511889085e+00 1.511889085e+00 2.14 7.036288552e-01 7.036288552e-01 2.16 -3.911199028e-02 -3.911199028e-02 2.18 -7.215210439e-01 -7.215210439e-01 2.20 -1.348161873e+00 -1.348161873e+00 2.22 -1.923047700e+00 -1.923047700e+00 2.24 -2.449738124e+00 -2.449738124e+00 2.26 -2.931445068e+00 -2.931445068e+00 2.28 -3.371132228e+00 -3.371132228e+00 2.30 -3.771594946e+00 -3.771594946e+00 2.32 -4.135512353e+00 -4.135512353e+00 2.34 -4.465469278e+00 -4.465469278e+00 2.36 -4.763950927e+00 -4.763950927e+00 2.38 -5.033318279e+00 -5.033318279e+00 2.40 -5.275775381e+00 -5.275775381e+00 2.42 -5.493340125e+00 -5.493340125e+00 2.44 -5.687827319e+00 -5.687827319e+00 2.46 -5.860847960e+00 -5.860847960e+00 2.48 -6.013823370e+00 -6.013823370e+00 2.50 -6.147938977e+00 -6.147938977e+00 2.52 -6.264295841e+00 -6.264295841e+00 2.54 -6.364017710e+00 -6.364017710e+00 2.56 -6.448112586e+00 -6.448112586e+00 2.58 -6.517495449e+00 -6.517495449e+00 2.60 -6.573005834e+00 -6.573005834e+00 2.62 -6.615408775e+00 -6.615408775e+00 2.64 -6.645187343e+00 -6.645187343e+00 2.66 -6.663049542e+00 -6.663049542e+00 2.68 -6.669647834e+00 -6.669647834e+00 2.70 -6.665601076e+00 -6.665601076e+00 2.72 -6.651523024e+00 -6.651523024e+00 2.74 -6.628024810e+00 -6.628024810e+00 2.76 -6.595718419e+00 -6.595718419e+00 2.78 -6.555215679e+00 -6.555215679e+00 2.80 -6.506871274e+00 -6.506871274e+00 2.82 -6.450705754e+00 -6.450705754e+00 2.84 -6.386801041e+00 -6.386801041e+00 2.86 -6.315328443e+00 -6.315328443e+00 2.88 -6.236543806e+00 -6.236543806e+00 2.90 -6.150782498e+00 -6.150782498e+00 2.92 -6.058452914e+00 -6.058452914e+00 2.94 -5.960027354e+00 -5.960027354e+00 2.96 -5.856032676e+00 -5.856032676e+00 2.98 -5.747024761e+00 -5.747024761e+00 3.00 -5.633571024e+00 -5.633571024e+00 3.02 -5.516231480e+00 -5.516231480e+00 3.04 -5.395535808e+00 -5.395535808e+00 3.06 -5.271963269e+00 -5.271963269e+00 3.08 -5.145928151e+00 -5.145928151e+00 3.10 -5.017762685e+00 -5.017762685e+00 3.12 -4.887576244e+00 -4.887576244e+00 3.14 -4.755304430e+00 -4.755304430e+00 3.16 -4.620841223e+00 -4.620841223e+00 3.18 -4.484059548e+00 -4.484059548e+00 3.20 -4.344832523e+00 -4.344832523e+00 3.22 -4.203056750e+00 -4.203056750e+00 3.24 -4.058675927e+00 -4.058675927e+00 3.26 -3.911703279e+00 -3.911703279e+00 3.28 -3.762241404e+00 -3.762241404e+00 3.30 -3.610498286e+00 -3.610498286e+00 3.32 -3.456798187e+00 -3.456798187e+00 3.34 -3.301586260e+00 -3.301586260e+00 3.36 -3.145425878e+00 -3.145425878e+00 3.38 -2.988987990e+00 -2.988987990e+00 3.40 -2.833032326e+00 -2.833032326e+00 3.42 -2.678380978e+00 -2.678380978e+00 3.44 -2.525885686e+00 -2.525885686e+00 3.46 -2.376391030e+00 -2.376391030e+00 3.48 -2.230696457e+00 -2.230696457e+00 3.50 -2.089520458e+00 -2.089520458e+00 3.52 -1.953470253e+00 -1.953470253e+00 3.54 -1.823019732e+00 -1.823019732e+00 3.56 -1.698497513e+00 -1.698497513e+00 3.58 -1.580085735e+00 -1.580085735e+00 3.60 -1.467828946e+00 -1.467828946e+00 3.62 -1.361651420e+00 -1.361651420e+00 3.64 -1.261380511e+00 -1.261380511e+00 3.66 -1.166773353e+00 -1.166773353e+00 3.68 -1.077544229e+00 -1.077544229e+00 3.70 -9.933903137e-01 -9.933903137e-01 3.72 -9.140139219e-01 -9.140139219e-01 3.74 -8.391399919e-01 -8.391399919e-01 3.76 -7.685280949e-01 -7.685280949e-01 3.78 -7.019787821e-01 -7.019787821e-01 3.80 -6.393345713e-01 -6.393345713e-01 3.82 -5.804762826e-01 -5.804762826e-01 3.84 -5.253157579e-01 -5.253157579e-01 3.86 -4.737862142e-01 -4.737862142e-01 3.88 -4.258315665e-01 -4.258315665e-01 3.90 -3.813959954e-01 -3.813959954e-01 3.92 -3.404148473e-01 -3.404148473e-01 3.94 -3.028076372e-01 -3.028076372e-01 3.96 -2.684736048e-01 -2.684736048e-01 3.98 -2.372898878e-01 -2.372898878e-01 4.00 -2.091120744e-01 -2.091120744e-01 4.02 -1.837766616e-01 -1.837766616e-01 4.04 -1.611048985e-01 -1.611048985e-01 4.06 -1.409072871e-01 -1.409072871e-01 4.08 -1.229882414e-01 -1.229882414e-01 4.10 -1.071515521e-01 -1.071515521e-01 4.12 -9.320432149e-02 -9.320432149e-02 4.14 -8.095986471e-02 -8.095986471e-02 4.16 -7.024051144e-02 -7.024051144e-02 4.18 -6.087959830e-02 -6.087959830e-02 4.20 -5.272272740e-02 -5.272272740e-02 4.22 -4.562841085e-02 -4.562841085e-02 4.24 -3.946820787e-02 -3.946820787e-02 4.26 -3.412645474e-02 -3.412645474e-02 4.28 -2.949970840e-02 -2.949970840e-02 4.30 -2.549602965e-02 -2.549602965e-02 4.32 -2.203414319e-02 -2.203414319e-02 4.34 -1.904250576e-02 -1.904250576e-02 4.36 -1.645793435e-02 -1.645793435e-02 4.38 -1.422581229e-02 -1.422581229e-02 4.40 -1.229871517e-02 -1.229871517e-02 4.42 -1.063527602e-02 -1.063527602e-02 4.44 -9.199525822e-03 -9.199525822e-03 4.46 -7.960266939e-03 -7.960266939e-03 4.48 -6.890493089e-03 -6.890493089e-03 4.50 -5.966861954e-03 -5.966861954e-03 4.52 -5.169221955e-03 -5.169221955e-03 4.54 -4.480191812e-03 -4.480191812e-03 4.56 -3.884789796e-03 -3.884789796e-03 4.58 -3.370108703e-03 -3.370108703e-03 4.60 -2.925032222e-03 -2.925032222e-03 4.62 -2.539988304e-03 -2.539988304e-03 4.64 -2.206735331e-03 -2.206735331e-03 4.66 -1.918177124e-03 -1.918177124e-03 4.68 -1.668203213e-03 -1.668203213e-03 4.70 -1.451551098e-03 -1.451551098e-03 4.72 -1.263687611e-03 -1.263687611e-03 4.74 -1.100706823e-03 -1.100706823e-03 4.76 -9.592422412e-04 -9.592422412e-04 4.78 -8.363913284e-04 -8.363913284e-04 4.80 -7.296505746e-04 -7.296505746e-04 4.82 -6.368600765e-04 -6.368600765e-04 4.84 -5.561551957e-04 -5.561551957e-04 4.86 -4.859257636e-04 -4.859257636e-04 4.88 -4.247806674e-04 -4.247806674e-04 4.90 -3.715174959e-04 -3.715174959e-04 4.92 -3.250964522e-04 -3.250964522e-04 4.94 -2.846179306e-04 -2.846179306e-04 4.96 -2.493032356e-04 -2.493032356e-04 4.98 -2.184779993e-04 -2.184779993e-04 5.00 -1.915579132e-04 -1.915579132e-04 5.02 -1.680364474e-04 -1.680364474e-04 5.04 -1.474742760e-04 -1.474742760e-04 5.06 -1.294901689e-04 -1.294901689e-04 5.08 -1.137531417e-04 -1.137531417e-04 5.10 -9.997568775e-05 -9.997568775e-05 5.12 -8.790794081e-05 -8.790794081e-05 5.14 -7.733263752e-05 -7.733263752e-05 5.16 -6.806076807e-05 -6.806076807e-05 5.18 -5.992781947e-05 -5.992781947e-05 5.20 -5.279052898e-05 -5.279052898e-05 5.22 -4.652407701e-05 -4.652407701e-05 5.24 -4.101965889e-05 -4.101965889e-05 5.26 -3.618238335e-05 -3.618238335e-05 5.28 -3.192945271e-05 -3.192945271e-05 5.30 -2.818858644e-05 -2.818858644e-05 5.32 -2.489665461e-05 -2.489665461e-05 5.34 -2.199849300e-05 -2.199849300e-05 5.36 -1.944587486e-05 -1.944587486e-05 5.38 -1.719661854e-05 -1.719661854e-05 5.40 -1.521381228e-05 -1.521381228e-05 5.42 -1.346514080e-05 -1.346514080e-05 5.44 -1.192229972e-05 -1.192229972e-05 5.46 -1.056048635e-05 -1.056048635e-05 5.48 -9.357956557e-06 -9.357956557e-06 5.50 -8.295638915e-06 -8.295638915e-06 5.52 -7.356798690e-06 -7.356798690e-06 5.54 -6.526744975e-06 -6.526744975e-06 5.56 -5.792575370e-06 -5.792575370e-06 5.58 -5.142953265e-06 -5.142953265e-06 5.60 -4.567913482e-06 -4.567913482e-06 5.62 -4.058692582e-06 -4.058692582e-06 5.64 -3.607580641e-06 -3.607580641e-06 5.66 -3.207791718e-06 -3.207791718e-06 5.68 -2.853350597e-06 -2.853350597e-06 5.70 -2.538993737e-06 -2.538993737e-06 5.72 -2.260082580e-06 -2.260082580e-06 5.74 -2.012527664e-06 -2.012527664e-06 5.76 -1.792722148e-06 -1.792722148e-06 5.78 -1.597483572e-06 -1.597483572e-06 5.80 -1.424002795e-06 -1.424002795e-06 5.82 -1.269799215e-06 -1.269799215e-06 5.84 -1.132681485e-06 -1.132681485e-06 5.86 -1.010713021e-06 -1.010713021e-06 5.88 -9.021817210e-07 -9.021817210e-07 5.90 -8.055733620e-07 -8.055733620e-07 5.92 -7.195482166e-07 -7.195482166e-07 5.94 -6.429204960e-07 -6.429204960e-07 5.96 -5.746402671e-07 -5.746402671e-07 5.98 -5.137775411e-07 -5.137775411e-07 6.00 -4.595082664e-07 -4.595082664e-07