# 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 = AlNi2Pb # 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 1.699752684e+02 1.699752684e+02 1.30 1.579118271e+02 1.579118271e+02 1.32 1.467147249e+02 1.467147249e+02 1.34 1.363164843e+02 1.363164843e+02 1.36 1.266552227e+02 1.266552227e+02 1.38 1.176739822e+02 1.176739822e+02 1.40 1.093208291e+02 1.093208291e+02 1.42 1.015490189e+02 1.015490189e+02 1.44 9.431638953e+01 9.431638953e+01 1.46 8.758408246e+01 8.758408246e+01 1.48 8.131556457e+01 8.131556457e+01 1.50 7.547660631e+01 7.547660631e+01 1.52 7.003573278e+01 7.003573278e+01 1.54 6.496423573e+01 6.496423573e+01 1.56 6.023559967e+01 6.023559967e+01 1.58 5.582491709e+01 5.582491709e+01 1.60 5.170868526e+01 5.170868526e+01 1.62 4.786497595e+01 4.786497595e+01 1.64 4.427506843e+01 4.427506843e+01 1.66 4.092640050e+01 4.092640050e+01 1.68 3.780375490e+01 3.780375490e+01 1.70 3.489153303e+01 3.489153303e+01 1.72 3.217476977e+01 3.217476977e+01 1.74 2.963963232e+01 2.963963232e+01 1.76 2.727337017e+01 2.727337017e+01 1.78 2.506434400e+01 2.506434400e+01 1.80 2.300204909e+01 2.300204909e+01 1.82 2.107705983e+01 2.107705983e+01 1.84 1.928087990e+01 1.928087990e+01 1.86 1.760575948e+01 1.760575948e+01 1.88 1.604452705e+01 1.604452705e+01 1.90 1.459043400e+01 1.459043400e+01 1.92 1.323701530e+01 1.323701530e+01 1.94 1.197797860e+01 1.197797860e+01 1.96 1.080712154e+01 1.080712154e+01 1.98 9.718322645e+00 9.718322645e+00 2.00 8.705618692e+00 8.705618692e+00 2.02 7.763349644e+00 7.763349644e+00 2.04 6.886304749e+00 6.886304749e+00 2.06 6.069807309e+00 6.069807309e+00 2.08 5.309714988e+00 5.309714988e+00 2.10 4.602355650e+00 4.602355650e+00 2.12 3.944437076e+00 3.944437076e+00 2.14 3.332954110e+00 3.332954110e+00 2.16 2.765112768e+00 2.765112768e+00 2.18 2.238274291e+00 2.238274291e+00 2.20 1.749917812e+00 1.749917812e+00 2.22 1.297623839e+00 1.297623839e+00 2.24 8.790741794e-01 8.790741794e-01 2.26 4.920648497e-01 4.920648497e-01 2.28 1.345209956e-01 1.345209956e-01 2.30 -1.954916969e-01 -1.954916969e-01 2.32 -4.997765851e-01 -4.997765851e-01 2.34 -7.800167074e-01 -7.800167074e-01 2.36 -1.037794810e+00 -1.037794810e+00 2.38 -1.274599228e+00 -1.274599228e+00 2.40 -1.491819524e+00 -1.491819524e+00 2.42 -1.690737492e+00 -1.690737492e+00 2.44 -1.872522881e+00 -1.872522881e+00 2.46 -2.038239183e+00 -2.038239183e+00 2.48 -2.188860061e+00 -2.188860061e+00 2.50 -2.325292376e+00 -2.325292376e+00 2.52 -2.448397951e+00 -2.448397951e+00 2.54 -2.559021755e+00 -2.559021755e+00 2.56 -2.658008902e+00 -2.658008902e+00 2.58 -2.746211734e+00 -2.746211734e+00 2.60 -2.824485592e+00 -2.824485592e+00 2.62 -2.893673248e+00 -2.893673248e+00 2.64 -2.954707198e+00 -2.954707198e+00 2.66 -3.008842835e+00 -3.008842835e+00 2.68 -3.056331722e+00 -3.056331722e+00 2.70 -3.097320770e+00 -3.097320770e+00 2.72 -3.132003989e+00 -3.132003989e+00 2.74 -3.160614947e+00 -3.160614947e+00 2.76 -3.183417780e+00 -3.183417780e+00 2.78 -3.200694015e+00 -3.200694015e+00 2.80 -3.212727714e+00 -3.212727714e+00 2.82 -3.219795428e+00 -3.219795428e+00 2.84 -3.222161001e+00 -3.222161001e+00 2.86 -3.220058860e+00 -3.220058860e+00 2.88 -3.213695578e+00 -3.213695578e+00 2.90 -3.203256962e+00 -3.203256962e+00 2.92 -3.188917173e+00 -3.188917173e+00 2.94 -3.170848381e+00 -3.170848381e+00 2.96 -3.149230115e+00 -3.149230115e+00 2.98 -3.124257782e+00 -3.124257782e+00 3.00 -3.096149735e+00 -3.096149735e+00 3.02 -3.065151851e+00 -3.065151851e+00 3.04 -3.031537836e+00 -3.031537836e+00 3.06 -2.995607835e+00 -2.995607835e+00 3.08 -2.957676090e+00 -2.957676090e+00 3.10 -2.918065112e+00 -2.918065112e+00 3.12 -2.877113580e+00 -2.877113580e+00 3.14 -2.835093281e+00 -2.835093281e+00 3.16 -2.792236945e+00 -2.792236945e+00 3.18 -2.748750088e+00 -2.748750088e+00 3.20 -2.704808493e+00 -2.704808493e+00 3.22 -2.660559147e+00 -2.660559147e+00 3.24 -2.616122663e+00 -2.616122663e+00 3.26 -2.571596301e+00 -2.571596301e+00 3.28 -2.527056849e+00 -2.527056849e+00 3.30 -2.482559216e+00 -2.482559216e+00 3.32 -2.438140260e+00 -2.438140260e+00 3.34 -2.393827540e+00 -2.393827540e+00 3.36 -2.349641717e+00 -2.349641717e+00 3.38 -2.305598364e+00 -2.305598364e+00 3.40 -2.261709171e+00 -2.261709171e+00 3.42 -2.217983520e+00 -2.217983520e+00 3.44 -2.174428037e+00 -2.174428037e+00 3.46 -2.131047678e+00 -2.131047678e+00 3.48 -2.087845812e+00 -2.087845812e+00 3.50 -2.044824524e+00 -2.044824524e+00 3.52 -2.001985043e+00 -2.001985043e+00 3.54 -1.959328308e+00 -1.959328308e+00 3.56 -1.916855691e+00 -1.916855691e+00 3.58 -1.874569800e+00 -1.874569800e+00 3.60 -1.832475308e+00 -1.832475308e+00 3.62 -1.790579725e+00 -1.790579725e+00 3.64 -1.748894057e+00 -1.748894057e+00 3.66 -1.707433324e+00 -1.707433324e+00 3.68 -1.666216925e+00 -1.666216925e+00 3.70 -1.625268868e+00 -1.625268868e+00 3.72 -1.584617903e+00 -1.584617903e+00 3.74 -1.544297558e+00 -1.544297558e+00 3.76 -1.504346101e+00 -1.504346101e+00 3.78 -1.464806395e+00 -1.464806395e+00 3.80 -1.425725550e+00 -1.425725550e+00 3.82 -1.387154274e+00 -1.387154274e+00 3.84 -1.349145750e+00 -1.349145750e+00 3.86 -1.311753930e+00 -1.311753930e+00 3.88 -1.275031210e+00 -1.275031210e+00 3.90 -1.239025602e+00 -1.239025602e+00 3.92 -1.203777307e+00 -1.203777307e+00 3.94 -1.169317427e+00 -1.169317427e+00 3.96 -1.135663198e+00 -1.135663198e+00 3.98 -1.102818420e+00 -1.102818420e+00 4.00 -1.070772777e+00 -1.070772777e+00 4.02 -1.039502702e+00 -1.039502702e+00 4.04 -1.008973140e+00 -1.008973140e+00 4.06 -9.791398953e-01 -9.791398953e-01 4.08 -9.499522966e-01 -9.499522966e-01 4.10 -9.213548735e-01 -9.213548735e-01 4.12 -8.932942677e-01 -8.932942677e-01 4.14 -8.657148500e-01 -8.657148500e-01 4.16 -8.385656545e-01 -8.385656545e-01 4.18 -8.118010639e-01 -8.118010639e-01 4.20 -7.853825323e-01 -7.853825323e-01 4.22 -7.592800665e-01 -7.592800665e-01 4.24 -7.334734236e-01 -7.334734236e-01 4.26 -7.079529626e-01 -7.079529626e-01 4.28 -6.827200836e-01 -6.827200836e-01 4.30 -6.577872022e-01 -6.577872022e-01 4.32 -6.331772460e-01 -6.331772460e-01 4.34 -6.089226983e-01 -6.089226983e-01 4.36 -5.850642598e-01 -5.850642598e-01 4.38 -5.616492128e-01 -5.616492128e-01 4.40 -5.387295719e-01 -5.387295719e-01 4.42 -5.163600764e-01 -5.163600764e-01 4.44 -4.945960505e-01 -4.945960505e-01 4.46 -4.734911413e-01 -4.734911413e-01 4.48 -4.530949596e-01 -4.530949596e-01 4.50 -4.334506949e-01 -4.334506949e-01 4.52 -4.145928390e-01 -4.145928390e-01 4.54 -3.965452051e-01 -3.965452051e-01 4.56 -3.793194509e-01 -3.793194509e-01 4.58 -3.629142825e-01 -3.629142825e-01 4.60 -3.473154446e-01 -3.473154446e-01 4.62 -3.324965009e-01 -3.324965009e-01 4.64 -3.184203130e-01 -3.184203130e-01 4.66 -3.050410339e-01 -3.050410339e-01 4.68 -2.923064355e-01 -2.923064355e-01 4.70 -2.801603478e-01 -2.801603478e-01 4.72 -2.685450159e-01 -2.685450159e-01 4.74 -2.574032722e-01 -2.574032722e-01 4.76 -2.466804409e-01 -2.466804409e-01 4.78 -2.363252521e-01 -2.363252521e-01 4.80 -2.262918146e-01 -2.262918146e-01 4.82 -2.165436437e-01 -2.165436437e-01 4.84 -2.070482932e-01 -2.070482932e-01 4.86 -1.977815823e-01 -1.977815823e-01 4.88 -1.887268912e-01 -1.887268912e-01 4.90 -1.798750796e-01 -1.798750796e-01 4.92 -1.712240905e-01 -1.712240905e-01 4.94 -1.627782485e-01 -1.627782485e-01 4.96 -1.545472760e-01 -1.545472760e-01 4.98 -1.465450714e-01 -1.465450714e-01 5.00 -1.387883155e-01 -1.387883155e-01 5.02 -1.312949951e-01 -1.312949951e-01 5.04 -1.240829446e-01 -1.240829446e-01 5.06 -1.171685115e-01 -1.171685115e-01 5.08 -1.105654370e-01 -1.105654370e-01 5.10 -1.042840211e-01 -1.042840211e-01 5.12 -9.833061090e-02 -9.833061090e-02 5.14 -9.270740957e-02 -9.270740957e-02 5.16 -8.741257758e-02 -8.741257758e-02 5.18 -8.244057008e-02 -8.244057008e-02 5.20 -7.778264207e-02 -7.778264207e-02 5.22 -7.342744891e-02 -7.342744891e-02 5.24 -6.936167599e-02 -6.936167599e-02 5.26 -6.557063464e-02 -6.557063464e-02 5.28 -6.203871483e-02 -6.203871483e-02 5.30 -5.875005402e-02 -5.875005402e-02 5.32 -5.568881603e-02 -5.568881603e-02 5.34 -5.283941452e-02 -5.283941452e-02 5.36 -5.018670168e-02 -5.018670168e-02 5.38 -4.771609185e-02 -4.771609185e-02 5.40 -4.541363615e-02 -4.541363615e-02 5.42 -4.326606262e-02 -4.326606262e-02 5.44 -4.126079411e-02 -4.126079411e-02 5.46 -3.938595274e-02 -3.938595274e-02 5.48 -3.763035663e-02 -3.763035663e-02 5.50 -3.598351240e-02 -3.598351240e-02 5.52 -3.443560460e-02 -3.443560460e-02 5.54 -3.297748267e-02 -3.297748267e-02 5.56 -3.160064497e-02 -3.160064497e-02 5.58 -3.029721994e-02 -3.029721994e-02 5.60 -2.905994415e-02 -2.905994415e-02 5.62 -2.788213766e-02 -2.788213766e-02 5.64 -2.675767734e-02 -2.675767734e-02 5.66 -2.568096852e-02 -2.568096852e-02 5.68 -2.464691671e-02 -2.464691671e-02 5.70 -2.365089992e-02 -2.365089992e-02 5.72 -2.268874257e-02 -2.268874257e-02 5.74 -2.175669195e-02 -2.175669195e-02 5.76 -2.085139773e-02 -2.085139773e-02 5.78 -1.996989505e-02 -1.996989505e-02 5.80 -1.910959130e-02 -1.910959130e-02 5.82 -1.826825644e-02 -1.826825644e-02 5.84 -1.744401662e-02 -1.744401662e-02 5.86 -1.663535019e-02 -1.663535019e-02 5.88 -1.584108531e-02 -1.584108531e-02 5.90 -1.506039785e-02 -1.506039785e-02 5.92 -1.429280810e-02 -1.429280810e-02 5.94 -1.353816907e-02 -1.353816907e-02 5.96 -1.279658797e-02 -1.279658797e-02 5.98 -1.206855627e-02 -1.206855627e-02 6.00 -1.135488326e-02 -1.135488326e-02