# 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 = AlCoPb2 # 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 2.612283802e+02 2.612283802e+02 1.30 2.438194766e+02 2.438194766e+02 1.32 2.276235381e+02 2.276235381e+02 1.34 2.125449191e+02 2.125449191e+02 1.36 1.984957712e+02 1.984957712e+02 1.38 1.853951112e+02 1.853951112e+02 1.40 1.731689323e+02 1.731689323e+02 1.42 1.617507351e+02 1.617507351e+02 1.44 1.510815333e+02 1.510815333e+02 1.46 1.411090999e+02 1.411090999e+02 1.48 1.317864978e+02 1.317864978e+02 1.50 1.230701763e+02 1.230701763e+02 1.52 1.149184830e+02 1.149184830e+02 1.54 1.072913546e+02 1.072913546e+02 1.56 1.001508110e+02 1.001508110e+02 1.58 9.346155767e+01 9.346155767e+01 1.60 8.719128258e+01 8.719128258e+01 1.62 8.131076547e+01 8.131076547e+01 1.64 7.579385293e+01 7.579385293e+01 1.66 7.061728594e+01 7.061728594e+01 1.68 6.576555738e+01 6.576555738e+01 1.70 6.122996037e+01 6.122996037e+01 1.72 5.699218094e+01 5.699218094e+01 1.74 5.303272751e+01 5.303272751e+01 1.76 4.933233905e+01 4.933233905e+01 1.78 4.587271133e+01 4.587271133e+01 1.80 4.263675785e+01 4.263675785e+01 1.82 3.960876579e+01 3.960876579e+01 1.84 3.677441781e+01 3.677441781e+01 1.86 3.412068854e+01 3.412068854e+01 1.88 3.163567822e+01 3.163567822e+01 1.90 2.930842202e+01 2.930842202e+01 1.92 2.712873290e+01 2.712873290e+01 1.94 2.508714811e+01 2.508714811e+01 1.96 2.317492676e+01 2.317492676e+01 1.98 2.138405342e+01 2.138405342e+01 2.00 1.970716801e+01 1.970716801e+01 2.02 1.813742800e+01 1.813742800e+01 2.04 1.666836527e+01 1.666836527e+01 2.06 1.529380461e+01 1.529380461e+01 2.08 1.400785708e+01 1.400785708e+01 2.10 1.280494403e+01 1.280494403e+01 2.12 1.167982806e+01 1.167982806e+01 2.14 1.062761596e+01 1.062761596e+01 2.16 9.643746805e+00 9.643746805e+00 2.18 8.723973462e+00 8.723973462e+00 2.20 7.864340255e+00 7.864340255e+00 2.22 7.061165903e+00 7.061165903e+00 2.24 6.311024298e+00 6.311024298e+00 2.26 5.610723829e+00 5.610723829e+00 2.28 4.957287197e+00 4.957287197e+00 2.30 4.347927881e+00 4.347927881e+00 2.32 3.780026878e+00 3.780026878e+00 2.34 3.251120172e+00 3.251120172e+00 2.36 2.758875964e+00 2.758875964e+00 2.38 2.301080060e+00 2.301080060e+00 2.40 1.875622087e+00 1.875622087e+00 2.42 1.480486069e+00 1.480486069e+00 2.44 1.113746090e+00 1.113746090e+00 2.46 7.735690001e-01 7.735690001e-01 2.48 4.582218665e-01 4.582218665e-01 2.50 1.660819220e-01 1.660819220e-01 2.52 -1.043550574e-01 -1.043550574e-01 2.54 -3.544723647e-01 -3.544723647e-01 2.56 -5.855391847e-01 -5.855391847e-01 2.58 -7.987349601e-01 -7.987349601e-01 2.60 -9.951857259e-01 -9.951857259e-01 2.62 -1.175899692e+00 -1.175899692e+00 2.64 -1.341842526e+00 -1.341842526e+00 2.66 -1.493942499e+00 -1.493942499e+00 2.68 -1.633088739e+00 -1.633088739e+00 2.70 -1.760122077e+00 -1.760122077e+00 2.72 -1.875828968e+00 -1.875828968e+00 2.74 -1.981076132e+00 -1.981076132e+00 2.76 -2.077069020e+00 -2.077069020e+00 2.78 -2.164255143e+00 -2.164255143e+00 2.80 -2.242958670e+00 -2.242958670e+00 2.82 -2.313501340e+00 -2.313501340e+00 2.84 -2.376204492e+00 -2.376204492e+00 2.86 -2.431385972e+00 -2.431385972e+00 2.88 -2.479358431e+00 -2.479358431e+00 2.90 -2.520428985e+00 -2.520428985e+00 2.92 -2.554903346e+00 -2.554903346e+00 2.94 -2.583098000e+00 -2.583098000e+00 2.96 -2.605335731e+00 -2.605335731e+00 2.98 -2.621947830e+00 -2.621947830e+00 3.00 -2.633280613e+00 -2.633280613e+00 3.02 -2.639699805e+00 -2.639699805e+00 3.04 -2.641590429e+00 -2.641590429e+00 3.06 -2.639355014e+00 -2.639355014e+00 3.08 -2.633400253e+00 -2.633400253e+00 3.10 -2.624127922e+00 -2.624127922e+00 3.12 -2.611920732e+00 -2.611920732e+00 3.14 -2.597137119e+00 -2.597137119e+00 3.16 -2.580097800e+00 -2.580097800e+00 3.18 -2.561088776e+00 -2.561088776e+00 3.20 -2.540401317e+00 -2.540401317e+00 3.22 -2.518261900e+00 -2.518261900e+00 3.24 -2.494808067e+00 -2.494808067e+00 3.26 -2.470160164e+00 -2.470160164e+00 3.28 -2.444422690e+00 -2.444422690e+00 3.30 -2.417686184e+00 -2.417686184e+00 3.32 -2.390029693e+00 -2.390029693e+00 3.34 -2.361523581e+00 -2.361523581e+00 3.36 -2.332232300e+00 -2.332232300e+00 3.38 -2.302216103e+00 -2.302216103e+00 3.40 -2.271524692e+00 -2.271524692e+00 3.42 -2.240201770e+00 -2.240201770e+00 3.44 -2.208292898e+00 -2.208292898e+00 3.46 -2.175846436e+00 -2.175846436e+00 3.48 -2.142912503e+00 -2.142912503e+00 3.50 -2.109542126e+00 -2.109542126e+00 3.52 -2.075786415e+00 -2.075786415e+00 3.54 -2.041695852e+00 -2.041695852e+00 3.56 -2.007319787e+00 -2.007319787e+00 3.58 -1.972706192e+00 -1.972706192e+00 3.60 -1.937901702e+00 -1.937901702e+00 3.62 -1.902951885e+00 -1.902951885e+00 3.64 -1.867901720e+00 -1.867901720e+00 3.66 -1.832796131e+00 -1.832796131e+00 3.68 -1.797680458e+00 -1.797680458e+00 3.70 -1.762600697e+00 -1.762600697e+00 3.72 -1.727603393e+00 -1.727603393e+00 3.74 -1.692735100e+00 -1.692735100e+00 3.76 -1.658041434e+00 -1.658041434e+00 3.78 -1.623565845e+00 -1.623565845e+00 3.80 -1.589348288e+00 -1.589348288e+00 3.82 -1.555424022e+00 -1.555424022e+00 3.84 -1.521822743e+00 -1.521822743e+00 3.86 -1.488568136e+00 -1.488568136e+00 3.88 -1.455677909e+00 -1.455677909e+00 3.90 -1.423164212e+00 -1.423164212e+00 3.92 -1.391033649e+00 -1.391033649e+00 3.94 -1.359290946e+00 -1.359290946e+00 3.96 -1.327935327e+00 -1.327935327e+00 3.98 -1.296964411e+00 -1.296964411e+00 4.00 -1.266374026e+00 -1.266374026e+00 4.02 -1.236158737e+00 -1.236158737e+00 4.04 -1.206312286e+00 -1.206312286e+00 4.06 -1.176827993e+00 -1.176827993e+00 4.08 -1.147699174e+00 -1.147699174e+00 4.10 -1.118917668e+00 -1.118917668e+00 4.12 -1.090482697e+00 -1.090482697e+00 4.14 -1.062388609e+00 -1.062388609e+00 4.16 -1.034634834e+00 -1.034634834e+00 4.18 -1.007224356e+00 -1.007224356e+00 4.20 -9.801645468e-01 -9.801645468e-01 4.22 -9.534678273e-01 -9.534678273e-01 4.24 -9.271519962e-01 -9.271519962e-01 4.26 -9.012400984e-01 -9.012400984e-01 4.28 -8.757597308e-01 -8.757597308e-01 4.30 -8.507417629e-01 -8.507417629e-01 4.32 -8.262185451e-01 -8.262185451e-01 4.34 -8.022217695e-01 -8.022217695e-01 4.36 -7.787802260e-01 -7.787802260e-01 4.38 -7.559177191e-01 -7.559177191e-01 4.40 -7.336513872e-01 -7.336513872e-01 4.42 -7.119905921e-01 -7.119905921e-01 4.44 -6.909364480e-01 -6.909364480e-01 4.46 -6.704819603e-01 -6.704819603e-01 4.48 -6.506126662e-01 -6.506126662e-01 4.50 -6.313076252e-01 -6.313076252e-01 4.52 -6.125405987e-01 -6.125405987e-01 4.54 -5.942812755e-01 -5.942812755e-01 4.56 -5.764964359e-01 -5.764964359e-01 4.58 -5.591509879e-01 -5.591509879e-01 4.60 -5.422088482e-01 -5.422088482e-01 4.62 -5.256336717e-01 -5.256336717e-01 4.64 -5.093894540e-01 -5.093894540e-01 4.66 -4.934410468e-01 -4.934410468e-01 4.68 -4.777546288e-01 -4.777546288e-01 4.70 -4.622981759e-01 -4.622981759e-01 4.72 -4.470419672e-01 -4.470419672e-01 4.74 -4.319591535e-01 -4.319591535e-01 4.76 -4.170264046e-01 -4.170264046e-01 4.78 -4.022246306e-01 -4.022246306e-01 4.80 -3.875383112e-01 -3.875383112e-01 4.82 -3.729622905e-01 -3.729622905e-01 4.84 -3.584931189e-01 -3.584931189e-01 4.86 -3.441361855e-01 -3.441361855e-01 4.88 -3.299043624e-01 -3.299043624e-01 4.90 -3.158180347e-01 -3.158180347e-01 4.92 -3.019047181e-01 -3.019047181e-01 4.94 -2.881982153e-01 -2.881982153e-01 4.96 -2.747373071e-01 -2.747373071e-01 4.98 -2.615640364e-01 -2.615640364e-01 5.00 -2.487216971e-01 -2.487216971e-01 5.02 -2.362526908e-01 -2.362526908e-01 5.04 -2.241964391e-01 -2.241964391e-01 5.06 -2.125875376e-01 -2.125875376e-01 5.08 -2.014543059e-01 -2.014543059e-01 5.10 -1.908178374e-01 -1.908178374e-01 5.12 -1.806915873e-01 -1.806915873e-01 5.14 -1.710814718e-01 -1.710814718e-01 5.16 -1.619864022e-01 -1.619864022e-01 5.18 -1.533991408e-01 -1.533991408e-01 5.20 -1.453073523e-01 -1.453073523e-01 5.22 -1.376947254e-01 -1.376947254e-01 5.24 -1.305420565e-01 -1.305420565e-01 5.26 -1.238282377e-01 -1.238282377e-01 5.28 -1.175310798e-01 -1.175310798e-01 5.30 -1.116279570e-01 -1.116279570e-01 5.32 -1.060962667e-01 -1.060962667e-01 5.34 -1.009137440e-01 -1.009137440e-01 5.36 -9.605865320e-02 -9.605865320e-02 5.38 -9.150988811e-02 -9.150988811e-02 5.40 -8.724639544e-02 -8.724639544e-02 5.42 -8.324797436e-02 -8.324797436e-02 5.44 -7.949631998e-02 -7.949631998e-02 5.46 -7.597352946e-02 -7.597352946e-02 5.48 -7.266220352e-02 -7.266220352e-02 5.50 -6.954554904e-02 -6.954554904e-02 5.52 -6.660746438e-02 -6.660746438e-02 5.54 -6.383260902e-02 -6.383260902e-02 5.56 -6.120645736e-02 -6.120645736e-02 5.58 -5.871533653e-02 -5.871533653e-02 5.60 -5.634644856e-02 -5.634644856e-02 5.62 -5.408787797e-02 -5.408787797e-02 5.64 -5.192858665e-02 -5.192858665e-02 5.66 -4.985839848e-02 -4.985839848e-02 5.68 -4.786797651e-02 -4.786797651e-02 5.70 -4.594879562e-02 -4.594879562e-02 5.72 -4.409311326e-02 -4.409311326e-02 5.74 -4.229394091e-02 -4.229394091e-02 5.76 -4.054501800e-02 -4.054501800e-02 5.78 -3.884078983e-02 -3.884078983e-02 5.80 -3.717639127e-02 -3.717639127e-02 5.82 -3.554763457e-02 -3.554763457e-02 5.84 -3.395100225e-02 -3.395100225e-02 5.86 -3.238364393e-02 -3.238364393e-02 5.88 -3.084337514e-02 -3.084337514e-02 5.90 -2.932867614e-02 -2.932867614e-02 5.92 -2.783868795e-02 -2.783868795e-02 5.94 -2.637320275e-02 -2.637320275e-02 5.96 -2.493264540e-02 -2.493264540e-02 5.98 -2.351804133e-02 -2.351804133e-02 6.00 -2.213097270e-02 -2.213097270e-02