# 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 = AlAu2Fe # 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 2.385956729e+02 2.385956729e+02 1.30 2.206178287e+02 2.206178287e+02 1.32 2.039907855e+02 2.039907855e+02 1.34 1.886074830e+02 1.886074830e+02 1.36 1.743695336e+02 1.743695336e+02 1.38 1.611854817e+02 1.611854817e+02 1.40 1.489702606e+02 1.489702606e+02 1.42 1.376454362e+02 1.376454362e+02 1.44 1.271397603e+02 1.271397603e+02 1.46 1.173894678e+02 1.173894678e+02 1.48 1.083376941e+02 1.083376941e+02 1.50 9.993296061e+01 9.993296061e+01 1.52 9.212749584e+01 9.212749584e+01 1.54 8.487620081e+01 8.487620081e+01 1.56 7.813636668e+01 7.813636668e+01 1.58 7.186781351e+01 7.186781351e+01 1.60 6.603320984e+01 6.603320984e+01 1.62 6.059846249e+01 6.059846249e+01 1.64 5.553304796e+01 5.553304796e+01 1.66 5.081011058e+01 5.081011058e+01 1.68 4.640810098e+01 4.640810098e+01 1.70 4.232972784e+01 4.232972784e+01 1.72 3.856027037e+01 3.856027037e+01 1.74 3.507918192e+01 3.507918192e+01 1.76 3.186793367e+01 3.186793367e+01 1.78 2.890702635e+01 2.890702635e+01 1.80 2.617761044e+01 2.617761044e+01 1.82 2.366169984e+01 2.366169984e+01 1.84 2.134236218e+01 2.134236218e+01 1.86 1.920390148e+01 1.920390148e+01 1.88 1.723194603e+01 1.723194603e+01 1.90 1.541341218e+01 1.541341218e+01 1.92 1.373637766e+01 1.373637766e+01 1.94 1.218992662e+01 1.218992662e+01 1.96 1.076401869e+01 1.076401869e+01 1.98 9.449399294e+00 9.449399294e+00 2.00 8.237538185e+00 8.237538185e+00 2.02 7.120578548e+00 7.120578548e+00 2.04 6.091291993e+00 6.091291993e+00 2.06 5.143040934e+00 5.143040934e+00 2.08 4.269744091e+00 4.269744091e+00 2.10 3.465836718e+00 3.465836718e+00 2.12 2.726221684e+00 2.726221684e+00 2.14 2.046215225e+00 2.046215225e+00 2.16 1.421495117e+00 1.421495117e+00 2.18 8.480583183e-01 8.480583183e-01 2.20 3.221914271e-01 3.221914271e-01 2.22 -1.595473347e-01 -1.595473347e-01 2.24 -6.003391047e-01 -6.003391047e-01 2.26 -1.003113370e+00 -1.003113370e+00 2.28 -1.370558274e+00 -1.370558274e+00 2.30 -1.705133269e+00 -1.705133269e+00 2.32 -2.009084180e+00 -2.009084180e+00 2.34 -2.284460441e+00 -2.284460441e+00 2.36 -2.533134700e+00 -2.533134700e+00 2.38 -2.756824932e+00 -2.756824932e+00 2.40 -2.957118791e+00 -2.957118791e+00 2.42 -3.135499176e+00 -3.135499176e+00 2.44 -3.293369247e+00 -3.293369247e+00 2.46 -3.432074610e+00 -3.432074610e+00 2.48 -3.552920521e+00 -3.552920521e+00 2.50 -3.657182999e+00 -3.657182999e+00 2.52 -3.746114555e+00 -3.746114555e+00 2.54 -3.820946831e+00 -3.820946831e+00 2.56 -3.882892212e+00 -3.882892212e+00 2.58 -3.933143826e+00 -3.933143826e+00 2.60 -3.972870112e+00 -3.972870112e+00 2.62 -4.003222326e+00 -4.003222326e+00 2.64 -4.025422503e+00 -4.025422503e+00 2.66 -4.040289549e+00 -4.040289549e+00 2.68 -4.048581772e+00 -4.048581772e+00 2.70 -4.051695858e+00 -4.051695858e+00 2.72 -4.049964425e+00 -4.049964425e+00 2.74 -4.043410126e+00 -4.043410126e+00 2.76 -4.032050926e+00 -4.032050926e+00 2.78 -4.015912037e+00 -4.015912037e+00 2.80 -3.995023470e+00 -3.995023470e+00 2.82 -3.969438161e+00 -3.969438161e+00 2.84 -3.939255183e+00 -3.939255183e+00 2.86 -3.904622913e+00 -3.904622913e+00 2.88 -3.865718221e+00 -3.865718221e+00 2.90 -3.822732470e+00 -3.822732470e+00 2.92 -3.775811687e+00 -3.775811687e+00 2.94 -3.725115455e+00 -3.725115455e+00 2.96 -3.670848786e+00 -3.670848786e+00 2.98 -3.613261851e+00 -3.613261851e+00 3.00 -3.552650236e+00 -3.552650236e+00 3.02 -3.489353667e+00 -3.489353667e+00 3.04 -3.423750714e+00 -3.423750714e+00 3.06 -3.356247812e+00 -3.356247812e+00 3.08 -3.287262508e+00 -3.287262508e+00 3.10 -3.217203309e+00 -3.217203309e+00 3.12 -3.146449935e+00 -3.146449935e+00 3.14 -3.075338283e+00 -3.075338283e+00 3.16 -3.004152882e+00 -3.004152882e+00 3.18 -2.933127640e+00 -2.933127640e+00 3.20 -2.862453120e+00 -2.862453120e+00 3.22 -2.792287449e+00 -2.792287449e+00 3.24 -2.722767681e+00 -2.722767681e+00 3.26 -2.654019120e+00 -2.654019120e+00 3.28 -2.586161242e+00 -2.586161242e+00 3.30 -2.519309944e+00 -2.519309944e+00 3.32 -2.453576676e+00 -2.453576676e+00 3.34 -2.389065495e+00 -2.389065495e+00 3.36 -2.325869223e+00 -2.325869223e+00 3.38 -2.264065780e+00 -2.264065780e+00 3.40 -2.203715452e+00 -2.203715452e+00 3.42 -2.144859545e+00 -2.144859545e+00 3.44 -2.087520455e+00 -2.087520455e+00 3.46 -2.031703027e+00 -2.031703027e+00 3.48 -1.977396815e+00 -1.977396815e+00 3.50 -1.924578870e+00 -1.924578870e+00 3.52 -1.873216674e+00 -1.873216674e+00 3.54 -1.823270928e+00 -1.823270928e+00 3.56 -1.774697995e+00 -1.774697995e+00 3.58 -1.727451896e+00 -1.727451896e+00 3.60 -1.681485826e+00 -1.681485826e+00 3.62 -1.636753211e+00 -1.636753211e+00 3.64 -1.593208377e+00 -1.593208377e+00 3.66 -1.550806889e+00 -1.550806889e+00 3.68 -1.509505653e+00 -1.509505653e+00 3.70 -1.469262845e+00 -1.469262845e+00 3.72 -1.430037748e+00 -1.430037748e+00 3.74 -1.391790532e+00 -1.391790532e+00 3.76 -1.354482051e+00 -1.354482051e+00 3.78 -1.318073664e+00 -1.318073664e+00 3.80 -1.282527120e+00 -1.282527120e+00 3.82 -1.247804512e+00 -1.247804512e+00 3.84 -1.213868297e+00 -1.213868297e+00 3.86 -1.180681377e+00 -1.180681377e+00 3.88 -1.148207220e+00 -1.148207220e+00 3.90 -1.116409993e+00 -1.116409993e+00 3.92 -1.085254697e+00 -1.085254697e+00 3.94 -1.054707294e+00 -1.054707294e+00 3.96 -1.024734770e+00 -1.024734770e+00 3.98 -9.953052153e-01 -9.953052153e-01 4.00 -9.663878794e-01 -9.663878794e-01 4.02 -9.379532628e-01 -9.379532628e-01 4.04 -9.099732768e-01 -9.099732768e-01 4.06 -8.824215217e-01 -8.824215217e-01 4.08 -8.552737259e-01 -8.552737259e-01 4.10 -8.285083671e-01 -8.285083671e-01 4.12 -8.021075561e-01 -8.021075561e-01 4.14 -7.760579949e-01 -7.760579949e-01 4.16 -7.503521904e-01 -7.503521904e-01 4.18 -7.249896466e-01 -7.249896466e-01 4.20 -6.999779675e-01 -6.999779675e-01 4.22 -6.753336828e-01 -6.753336828e-01 4.24 -6.510825995e-01 -6.510825995e-01 4.26 -6.272594966e-01 -6.272594966e-01 4.28 -6.039070249e-01 -6.039070249e-01 4.30 -5.810737676e-01 -5.810737676e-01 4.32 -5.588115309e-01 -5.588115309e-01 4.34 -5.371720690e-01 -5.371720690e-01 4.36 -5.162035538e-01 -5.162035538e-01 4.38 -4.959471669e-01 -4.959471669e-01 4.40 -4.764341861e-01 -4.764341861e-01 4.42 -4.576838685e-01 -4.576838685e-01 4.44 -4.397023070e-01 -4.397023070e-01 4.46 -4.224822934e-01 -4.224822934e-01 4.48 -4.060040832e-01 -4.060040832e-01 4.50 -3.902368641e-01 -3.902368641e-01 4.52 -3.751406787e-01 -3.751406787e-01 4.54 -3.606685540e-01 -3.606685540e-01 4.56 -3.467686285e-01 -3.467686285e-01 4.58 -3.333861254e-01 -3.333861254e-01 4.60 -3.204650804e-01 -3.204650804e-01 4.62 -3.079497944e-01 -3.079497944e-01 4.64 -2.957860200e-01 -2.957860200e-01 4.66 -2.839219235e-01 -2.839219235e-01 4.68 -2.723088773e-01 -2.723088773e-01 4.70 -2.609021421e-01 -2.609021421e-01 4.72 -2.496614938e-01 -2.496614938e-01 4.74 -2.385518360e-01 -2.385518360e-01 4.76 -2.275438253e-01 -2.275438253e-01 4.78 -2.166145163e-01 -2.166145163e-01 4.80 -2.057480024e-01 -2.057480024e-01 4.82 -1.949360571e-01 -1.949360571e-01 4.84 -1.841786137e-01 -1.841786137e-01 4.86 -1.734841486e-01 -1.734841486e-01 4.88 -1.628697738e-01 -1.628697738e-01 4.90 -1.523610018e-01 -1.523610018e-01 4.92 -1.419911021e-01 -1.419911021e-01 4.94 -1.318000117e-01 -1.318000117e-01 4.96 -1.218327994e-01 -1.218327994e-01 4.98 -1.121377389e-01 -1.121377389e-01 5.00 -1.027640971e-01 -1.027640971e-01 5.02 -9.375978643e-02 -9.375978643e-02 5.04 -8.516906770e-02 -8.516906770e-02 5.06 -7.703048023e-02 -7.703048023e-02 5.08 -6.937516080e-02 -6.937516080e-02 5.10 -6.222567758e-02 -6.222567758e-02 5.12 -5.559542700e-02 -5.559542700e-02 5.14 -4.948860794e-02 -4.948860794e-02 5.16 -4.390071108e-02 -4.390071108e-02 5.18 -3.881941031e-02 -3.881941031e-02 5.20 -3.422570983e-02 -3.422570983e-02 5.22 -3.009480517e-02 -3.009480517e-02 5.24 -2.639872445e-02 -2.639872445e-02 5.26 -2.310701982e-02 -2.310701982e-02 5.28 -2.018734592e-02 -2.018734592e-02 5.30 -1.760741790e-02 -1.760741790e-02 5.32 -1.533544916e-02 -1.533544916e-02 5.34 -1.334065121e-02 -1.334065121e-02 5.36 -1.159376794e-02 -1.159376794e-02 5.38 -1.006743222e-02 -1.006743222e-02 5.40 -8.736375230e-03 -8.736375230e-03 5.42 -7.577518633e-03 -7.577518633e-03 5.44 -6.569977426e-03 -6.569977426e-03 5.46 -5.694997812e-03 -5.694997812e-03 5.48 -4.935850355e-03 -4.935850355e-03 5.50 -4.277694768e-03 -4.277694768e-03 5.52 -3.707429041e-03 -3.707429041e-03 5.54 -3.213532450e-03 -3.213532450e-03 5.56 -2.785909310e-03 -2.785909310e-03 5.58 -2.415738274e-03 -2.415738274e-03 5.60 -2.095330231e-03 -2.095330231e-03 5.62 -1.817996660e-03 -1.817996660e-03 5.64 -1.577929311e-03 -1.577929311e-03 5.66 -1.370091433e-03 -1.370091433e-03 5.68 -1.190120306e-03 -1.190120306e-03 5.70 -1.034240530e-03 -1.034240530e-03 5.72 -8.991873405e-04 -8.991873405e-04 5.74 -7.821391264e-04 -7.821391264e-04 5.76 -6.806582802e-04 -6.806582802e-04 5.78 -5.926395371e-04 -5.926395371e-04 5.80 -5.162649768e-04 -5.162649768e-04 5.82 -4.499649219e-04 -4.499649219e-04 5.84 -3.923840263e-04 -3.923840263e-04 5.86 -3.423519115e-04 -3.423519115e-04 5.88 -2.988577742e-04 -2.988577742e-04 5.90 -2.610284512e-04 -2.610284512e-04 5.92 -2.281094871e-04 -2.281094871e-04 5.94 -1.994488038e-04 -1.994488038e-04 5.96 -1.744826222e-04 -1.744826222e-04 5.98 -1.527233288e-04 -1.527233288e-04 6.00 -1.337490219e-04 -1.337490219e-04