# 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 = AuTa2Ti # 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 3.821377828e+02 3.821377828e+02 1.30 3.549935788e+02 3.549935788e+02 1.32 3.298496855e+02 3.298496855e+02 1.34 3.065467479e+02 3.065467479e+02 1.36 2.849351455e+02 2.849351455e+02 1.38 2.648762251e+02 2.648762251e+02 1.40 2.462433269e+02 2.462433269e+02 1.42 2.289216070e+02 2.289216070e+02 1.44 2.128070234e+02 2.128070234e+02 1.46 1.978053713e+02 1.978053713e+02 1.48 1.838317078e+02 1.838317078e+02 1.50 1.708098486e+02 1.708098486e+02 1.52 1.586714685e+02 1.586714685e+02 1.54 1.473546538e+02 1.473546538e+02 1.56 1.368022473e+02 1.368022473e+02 1.58 1.269606162e+02 1.269606162e+02 1.60 1.177792077e+02 1.177792077e+02 1.62 1.092107181e+02 1.092107181e+02 1.64 1.012114155e+02 1.012114155e+02 1.66 9.374126315e+01 9.374126315e+01 1.68 8.676372980e+01 8.676372980e+01 1.70 8.024535401e+01 8.024535401e+01 1.72 7.415521892e+01 7.415521892e+01 1.74 6.846450056e+01 6.846450056e+01 1.76 6.314616036e+01 6.314616036e+01 1.78 5.817474035e+01 5.817474035e+01 1.80 5.352621631e+01 5.352621631e+01 1.82 4.917792105e+01 4.917792105e+01 1.84 4.510855448e+01 4.510855448e+01 1.86 4.129825597e+01 4.129825597e+01 1.88 3.772868916e+01 3.772868916e+01 1.90 3.438310476e+01 3.438310476e+01 1.92 3.125078710e+01 3.125078710e+01 1.94 2.832331377e+01 2.832331377e+01 1.96 2.559180960e+01 2.559180960e+01 1.98 2.305390031e+01 2.305390031e+01 2.00 2.069858295e+01 2.069858295e+01 2.02 1.851501329e+01 1.851501329e+01 2.04 1.649269418e+01 1.649269418e+01 2.06 1.462132552e+01 1.462132552e+01 2.08 1.289080141e+01 1.289080141e+01 2.10 1.129131704e+01 1.129131704e+01 2.12 9.813515657e+00 9.813515657e+00 2.14 8.448612482e+00 8.448612482e+00 2.16 7.188465405e+00 7.188465405e+00 2.18 6.025590953e+00 6.025590953e+00 2.20 4.953137278e+00 4.953137278e+00 2.22 3.964826048e+00 3.964826048e+00 2.24 3.054872424e+00 3.054872424e+00 2.26 2.217891046e+00 2.217891046e+00 2.28 1.448800403e+00 1.448800403e+00 2.30 7.427429595e-01 7.427429595e-01 2.32 9.503900829e-02 9.503900829e-02 2.34 -4.988178249e-01 -4.988178249e-01 2.36 -1.043130011e+00 -1.043130011e+00 2.38 -1.541946675e+00 -1.541946675e+00 2.40 -1.999014433e+00 -1.999014433e+00 2.42 -2.417743173e+00 -2.417743173e+00 2.44 -2.801194228e+00 -2.801194228e+00 2.46 -3.152091979e+00 -3.152091979e+00 2.48 -3.472854150e+00 -3.472854150e+00 2.50 -3.765633299e+00 -3.765633299e+00 2.52 -4.032361516e+00 -4.032361516e+00 2.54 -4.274792155e+00 -4.274792155e+00 2.56 -4.494535016e+00 -4.494535016e+00 2.58 -4.693083467e+00 -4.693083467e+00 2.60 -4.871833030e+00 -4.871833030e+00 2.62 -5.031975966e+00 -5.031975966e+00 2.64 -5.174681488e+00 -5.174681488e+00 2.66 -5.301276905e+00 -5.301276905e+00 2.68 -5.412969121e+00 -5.412969121e+00 2.70 -5.510847711e+00 -5.510847711e+00 2.72 -5.595893172e+00 -5.595893172e+00 2.74 -5.668987129e+00 -5.668987129e+00 2.76 -5.730923387e+00 -5.730923387e+00 2.78 -5.782393043e+00 -5.782393043e+00 2.80 -5.823748840e+00 -5.823748840e+00 2.82 -5.855182231e+00 -5.855182231e+00 2.84 -5.876918549e+00 -5.876918549e+00 2.86 -5.889213009e+00 -5.889213009e+00 2.88 -5.892346354e+00 -5.892346354e+00 2.90 -5.886651664e+00 -5.886651664e+00 2.92 -5.872465481e+00 -5.872465481e+00 2.94 -5.850093040e+00 -5.850093040e+00 2.96 -5.819868049e+00 -5.819868049e+00 2.98 -5.782149945e+00 -5.782149945e+00 3.00 -5.737319877e+00 -5.737319877e+00 3.02 -5.685774835e+00 -5.685774835e+00 3.04 -5.627919319e+00 -5.627919319e+00 3.06 -5.564173183e+00 -5.564173183e+00 3.08 -5.494959604e+00 -5.494959604e+00 3.10 -5.420510901e+00 -5.420510901e+00 3.12 -5.341034172e+00 -5.341034172e+00 3.14 -5.256741631e+00 -5.256741631e+00 3.16 -5.167855387e+00 -5.167855387e+00 3.18 -5.074617956e+00 -5.074617956e+00 3.20 -4.977305016e+00 -4.977305016e+00 3.22 -4.876237815e+00 -4.876237815e+00 3.24 -4.771792014e+00 -4.771792014e+00 3.26 -4.664397782e+00 -4.664397782e+00 3.28 -4.554540517e+00 -4.554540517e+00 3.30 -4.442753517e+00 -4.442753517e+00 3.32 -4.329601141e+00 -4.329601141e+00 3.34 -4.215656528e+00 -4.215656528e+00 3.36 -4.101476289e+00 -4.101476289e+00 3.38 -3.987575126e+00 -3.987575126e+00 3.40 -3.874403356e+00 -3.874403356e+00 3.42 -3.762329911e+00 -3.762329911e+00 3.44 -3.651632267e+00 -3.651632267e+00 3.46 -3.542493966e+00 -3.542493966e+00 3.48 -3.435008975e+00 -3.435008975e+00 3.50 -3.329191539e+00 -3.329191539e+00 3.52 -3.224989668e+00 -3.224989668e+00 3.54 -3.122300412e+00 -3.122300412e+00 3.56 -3.020985376e+00 -3.020985376e+00 3.58 -2.920885482e+00 -2.920885482e+00 3.60 -2.821834579e+00 -2.821834579e+00 3.62 -2.723671952e+00 -2.723671952e+00 3.64 -2.626254037e+00 -2.626254037e+00 3.66 -2.529465541e+00 -2.529465541e+00 3.68 -2.433229942e+00 -2.433229942e+00 3.70 -2.337518959e+00 -2.337518959e+00 3.72 -2.242360328e+00 -2.242360328e+00 3.74 -2.147843027e+00 -2.147843027e+00 3.76 -2.054119129e+00 -2.054119129e+00 3.78 -1.961401643e+00 -1.961401643e+00 3.80 -1.869957999e+00 -1.869957999e+00 3.82 -1.780099287e+00 -1.780099287e+00 3.84 -1.692165819e+00 -1.692165819e+00 3.86 -1.606510064e+00 -1.606510064e+00 3.88 -1.523478362e+00 -1.523478362e+00 3.90 -1.443393021e+00 -1.443393021e+00 3.92 -1.366536334e+00 -1.366536334e+00 3.94 -1.293137970e+00 -1.293137970e+00 3.96 -1.223366271e+00 -1.223366271e+00 3.98 -1.157324284e+00 -1.157324284e+00 4.00 -1.095050009e+00 -1.095050009e+00 4.02 -1.036520435e+00 -1.036520435e+00 4.04 -9.816584632e-01 -9.816584632e-01 4.06 -9.303417458e-01 -9.303417458e-01 4.08 -8.824124566e-01 -8.824124566e-01 4.10 -8.376870822e-01 -8.376870822e-01 4.12 -7.959660970e-01 -7.959660970e-01 4.14 -7.570417216e-01 -7.570417216e-01 4.16 -7.207053696e-01 -7.207053696e-01 4.18 -6.867532250e-01 -6.867532250e-01 4.20 -6.549905640e-01 -6.549905640e-01 4.22 -6.252347980e-01 -6.252347980e-01 4.24 -5.973173666e-01 -5.973173666e-01 4.26 -5.710846298e-01 -5.710846298e-01 4.28 -5.463979192e-01 -5.463979192e-01 4.30 -5.231329155e-01 -5.231329155e-01 4.32 -5.011785193e-01 -5.011785193e-01 4.34 -4.804353898e-01 -4.804353898e-01 4.36 -4.608143166e-01 -4.608143166e-01 4.38 -4.422345809e-01 -4.422345809e-01 4.40 -4.246224361e-01 -4.246224361e-01 4.42 -4.079098003e-01 -4.079098003e-01 4.44 -3.920332160e-01 -3.920332160e-01 4.46 -3.769330858e-01 -3.769330858e-01 4.48 -3.625531601e-01 -3.625531601e-01 4.50 -3.488402306e-01 -3.488402306e-01 4.52 -3.357439732e-01 -3.357439732e-01 4.54 -3.232168801e-01 -3.232168801e-01 4.56 -3.112140110e-01 -3.112140110e-01 4.58 -2.996934483e-01 -2.996934483e-01 4.60 -2.886162194e-01 -2.886162194e-01 4.62 -2.779459575e-01 -2.779459575e-01 4.64 -2.676488995e-01 -2.676488995e-01 4.66 -2.576938572e-01 -2.576938572e-01 4.68 -2.480521819e-01 -2.480521819e-01 4.70 -2.386977369e-01 -2.386977369e-01 4.72 -2.296068927e-01 -2.296068927e-01 4.74 -2.207585533e-01 -2.207585533e-01 4.76 -2.121342176e-01 -2.121342176e-01 4.78 -2.037180763e-01 -2.037180763e-01 4.80 -1.954970920e-01 -1.954970920e-01 4.82 -1.874613146e-01 -1.874613146e-01 4.84 -1.796037330e-01 -1.796037330e-01 4.86 -1.719205684e-01 -1.719205684e-01 4.88 -1.644112593e-01 -1.644112593e-01 4.90 -1.570784040e-01 -1.570784040e-01 4.92 -1.499275798e-01 -1.499275798e-01 4.94 -1.429670165e-01 -1.429670165e-01 4.96 -1.362071121e-01 -1.362071121e-01 4.98 -1.296597983e-01 -1.296597983e-01 5.00 -1.233377784e-01 -1.233377784e-01 5.02 -1.172536833e-01 -1.172536833e-01 5.04 -1.114192046e-01 -1.114192046e-01 5.06 -1.058442740e-01 -1.058442740e-01 5.08 -1.005363210e-01 -1.005363210e-01 5.10 -9.549967693e-02 -9.549967693e-02 5.12 -9.073558129e-02 -9.073558129e-02 5.14 -8.624186784e-02 -8.624186784e-02 5.16 -8.201305973e-02 -8.201305973e-02 5.18 -7.804068078e-02 -7.804068078e-02 5.20 -7.431370177e-02 -7.431370177e-02 5.22 -7.081906676e-02 -7.081906676e-02 5.24 -6.754224650e-02 -6.754224650e-02 5.26 -6.446777427e-02 -6.446777427e-02 5.28 -6.157973076e-02 -6.157973076e-02 5.30 -5.886215767e-02 -5.886215767e-02 5.32 -5.629939051e-02 -5.629939051e-02 5.34 -5.387631107e-02 -5.387631107e-02 5.36 -5.157852668e-02 -5.157852668e-02 5.38 -4.939248430e-02 -4.939248430e-02 5.40 -4.730553618e-02 -4.730553618e-02 5.42 -4.530596800e-02 -4.530596800e-02 5.44 -4.338300131e-02 -4.338300131e-02 5.46 -4.152678156e-02 -4.152678156e-02 5.48 -3.972836073e-02 -3.972836073e-02 5.50 -3.797968187e-02 -3.797968187e-02 5.52 -3.627357105e-02 -3.627357105e-02 5.54 -3.460373993e-02 -3.460373993e-02 5.56 -3.296480162e-02 -3.296480162e-02 5.58 -3.135229937e-02 -3.135229937e-02 5.60 -2.976274332e-02 -2.976274332e-02 5.62 -2.819365402e-02 -2.819365402e-02 5.64 -2.664360510e-02 -2.664360510e-02 5.66 -2.511225710e-02 -2.511225710e-02 5.68 -2.360037240e-02 -2.360037240e-02 5.70 -2.210980144e-02 -2.210980144e-02 5.72 -2.064343050e-02 -2.064343050e-02 5.74 -1.920508360e-02 -1.920508360e-02 5.76 -1.779937447e-02 -1.779937447e-02 5.78 -1.643137853e-02 -1.643137853e-02 5.80 -1.510659855e-02 -1.510659855e-02 5.82 -1.383075624e-02 -1.383075624e-02 5.84 -1.260936998e-02 -1.260936998e-02 5.86 -1.144748156e-02 -1.144748156e-02 5.88 -1.034941239e-02 -1.034941239e-02 5.90 -9.318567316e-03 -9.318567316e-03 5.92 -8.357299422e-03 -8.357299422e-03 5.94 -7.466842447e-03 -7.466842447e-03 5.96 -6.647310399e-03 -6.647310399e-03 5.98 -5.897757684e-03 -5.897757684e-03 6.00 -5.216288152e-03 -5.216288152e-03