# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = AlFeNi2 # 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 2025-07-01 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 2.225075064e+02 2.225075064e+02 1.10 2.055867123e+02 2.055867123e+02 1.12 1.896486754e+02 1.896486754e+02 1.14 1.748783170e+02 1.748783170e+02 1.16 1.615056481e+02 1.615056481e+02 1.18 1.490766158e+02 1.490766158e+02 1.20 1.380854095e+02 1.380854095e+02 1.22 1.274696872e+02 1.274696872e+02 1.24 1.175497116e+02 1.175497116e+02 1.26 1.086050554e+02 1.086049863e+02 1.28 1.002800290e+02 1.002800290e+02 1.30 9.259007720e+01 9.259007720e+01 1.32 8.530573493e+01 8.530573493e+01 1.34 7.889578788e+01 7.889578788e+01 1.36 7.262398369e+01 7.262398369e+01 1.38 6.684714510e+01 6.684714510e+01 1.40 6.146953268e+01 6.146953268e+01 1.42 5.648864808e+01 5.648864808e+01 1.44 5.219615195e+01 5.219615195e+01 1.46 4.812617551e+01 4.812617551e+01 1.48 4.410513320e+01 4.410513320e+01 1.50 4.037851148e+01 4.037851148e+01 1.52 3.703739618e+01 3.703739618e+01 1.54 3.404865391e+01 3.404865391e+01 1.56 3.104626626e+01 3.104626626e+01 1.58 2.830289303e+01 2.830289303e+01 1.60 2.571916513e+01 2.571916513e+01 1.62 2.332412507e+01 2.332412507e+01 1.64 2.110406874e+01 2.110406874e+01 1.66 1.915551780e+01 1.915551780e+01 1.68 1.734939332e+01 1.734939332e+01 1.70 1.556275897e+01 1.556275897e+01 1.72 1.390793845e+01 1.390793845e+01 1.74 1.248980696e+01 1.248980696e+01 1.76 1.106121672e+01 1.106121672e+01 1.78 9.739289042e+00 9.739289042e+00 1.80 8.516525251e+00 8.516525251e+00 1.82 7.531938645e+00 7.531938645e+00 1.84 6.474766417e+00 6.474766417e+00 1.86 5.722698807e+00 5.722698807e+00 1.88 4.802709644e+00 4.802709644e+00 1.90 3.954277164e+00 3.954277164e+00 1.92 3.172409090e+00 3.172409090e+00 1.94 2.510859921e+00 2.510859921e+00 1.96 1.843929248e+00 1.843929248e+00 1.98 1.230967503e+00 1.230967503e+00 2.00 6.682173749e-01 6.682173749e-01 2.02 1.521827604e-01 1.521827604e-01 2.04 -3.203904975e-01 -3.203904975e-01 2.06 -7.525323193e-01 -7.525323193e-01 2.08 -1.147064691e+00 -1.147064691e+00 2.10 -1.406032345e+00 -1.406030687e+00 2.12 -1.685450688e+00 -1.685450688e+00 2.14 -1.993235064e+00 -1.993235064e+00 2.16 -2.272087350e+00 -2.272087350e+00 2.18 -2.524052668e+00 -2.524052668e+00 2.20 -2.751038229e+00 -2.751038229e+00 2.22 -2.954822920e+00 -2.954822920e+00 2.24 -3.020231204e+00 -3.020231204e+00 2.26 -3.190501889e+00 -3.190501889e+00 2.28 -3.341673828e+00 -3.341673828e+00 2.30 -3.475132552e+00 -3.475132552e+00 2.32 -3.592171086e+00 -3.592171086e+00 2.34 -3.693996184e+00 -3.693996184e+00 2.36 -3.781734127e+00 -3.781734127e+00 2.38 -3.856436107e+00 -3.856436107e+00 2.40 -3.919083238e+00 -3.919083238e+00 2.42 -3.970591206e+00 -3.970591206e+00 2.44 -3.894353268e+00 -3.894353268e+00 2.46 -3.933607928e+00 -3.933607928e+00 2.48 -3.963640573e+00 -3.963640573e+00 2.50 -3.985175897e+00 -3.985175897e+00 2.52 -3.885125789e+00 -3.885125789e+00 2.54 -3.898782982e+00 -3.898782982e+00 2.56 -3.905393675e+00 -3.905393675e+00 2.58 -3.905534510e+00 -3.905534510e+00 2.60 -3.899743449e+00 -3.899743449e+00 2.62 -3.888522262e+00 -3.888522262e+00 2.64 -3.872338855e+00 -3.872338855e+00 2.66 -3.851629444e+00 -3.851629444e+00 2.68 -3.826800587e+00 -3.826800587e+00 2.70 -3.798231088e+00 -3.798231088e+00 2.72 -3.766273771e+00 -3.766273771e+00 2.74 -3.701756214e+00 -3.701756214e+00 2.76 -3.665650313e+00 -3.665650313e+00 2.78 -3.626981541e+00 -3.626981541e+00 2.80 -3.586019678e+00 -3.586019678e+00 2.82 -3.543015561e+00 -3.543015561e+00 2.84 -3.498202297e+00 -3.498202297e+00 2.86 -3.451796396e+00 -3.451796396e+00 2.88 -3.403998839e+00 -3.403998839e+00 2.90 -3.354996067e+00 -3.354996067e+00 2.92 -3.304960921e+00 -3.304960921e+00 2.94 -3.254053515e+00 -3.254053515e+00 2.96 -3.202422055e+00 -3.202422055e+00 2.98 -3.150203606e+00 -3.150203606e+00 3.00 -3.097524818e+00 -3.097524818e+00 3.02 -3.044502597e+00 -3.044502597e+00 3.04 -2.991244738e+00 -2.991244738e+00 3.06 -2.937850523e+00 -2.937850523e+00 3.08 -2.884411271e+00 -2.884411271e+00 3.10 -2.831010867e+00 -2.831010867e+00 3.12 -2.777726247e+00 -2.777726247e+00 3.14 -2.724627856e+00 -2.724627856e+00 3.16 -2.633613946e+00 -2.633613946e+00 3.18 -2.582981944e+00 -2.582981944e+00 3.20 -2.532617913e+00 -2.532617913e+00 3.22 -2.482575061e+00 -2.482575061e+00 3.24 -2.432901776e+00 -2.432901776e+00 3.26 -2.383641957e+00 -2.383641957e+00 3.28 -2.334835311e+00 -2.334835311e+00 3.30 -2.169361451e+00 -2.169361451e+00 3.32 -2.127196030e+00 -2.127196030e+00 3.34 -2.085311173e+00 -2.085311173e+00 3.36 -2.043745236e+00 -2.043745236e+00 3.38 -2.002533050e+00 -2.002533050e+00 3.40 -1.961706151e+00 -1.961706151e+00 3.42 -1.921292995e+00 -1.921292995e+00 3.44 -1.881319170e+00 -1.881319170e+00 3.46 -1.841807581e+00 -1.841807581e+00 3.48 -1.802778637e+00 -1.802778637e+00 3.50 -1.764250416e+00 -1.764250416e+00 3.52 -1.726238830e+00 -1.726238830e+00 3.54 -1.688757771e+00 -1.688757771e+00 3.56 -1.651819255e+00 -1.651819255e+00 3.58 -1.615433553e+00 -1.615433553e+00 3.60 -1.579609316e+00 -1.579609316e+00 3.62 -1.544353691e+00 -1.544353691e+00 3.64 -1.509672431e+00 -1.509672431e+00 3.66 -1.475570000e+00 -1.475570000e+00 3.68 -1.442049665e+00 -1.442049665e+00 3.70 -1.409113593e+00 -1.409113593e+00 3.72 -1.376762928e+00 -1.376762928e+00 3.74 -1.344997878e+00 -1.344997878e+00 3.76 -1.313817785e+00 -1.313817785e+00 3.78 -1.283221196e+00 -1.283221196e+00 3.80 -1.253205929e+00 -1.253205929e+00 3.82 -1.223769135e+00 -1.223769135e+00 3.84 -1.194907353e+00 -1.194907353e+00 3.86 -1.105776428e+00 -1.105776428e+00 3.88 -1.080499482e+00 -1.080499482e+00 3.90 -1.055685708e+00 -1.055685708e+00 3.92 -1.031333623e+00 -1.031333623e+00 3.94 -1.007441218e+00 -1.007441218e+00 3.96 -9.840059997e-01 -9.840059997e-01 3.98 -9.610250306e-01 -9.610250306e-01 4.00 -9.384949698e-01 -9.384949698e-01 4.02 -9.164121082e-01 -9.164121082e-01 4.04 -8.947724023e-01 -8.947724023e-01 4.06 -8.735715056e-01 -8.735715056e-01 4.08 -8.528047990e-01 -8.528047990e-01 4.10 -8.324674174e-01 -8.324674174e-01 4.12 -8.125542766e-01 -8.125542766e-01 4.14 -7.930600969e-01 -7.930600969e-01 4.16 -7.739794256e-01 -7.739794256e-01 4.18 -7.553066584e-01 -7.553066584e-01 4.20 -7.370360587e-01 -7.370360587e-01 4.22 -7.191617761e-01 -7.191617761e-01 4.24 -7.016778633e-01 -7.016778633e-01 4.26 -6.845782919e-01 -6.845782919e-01 4.28 -6.678569670e-01 -6.678569670e-01 4.30 -6.515077412e-01 -6.515077412e-01 4.32 -6.355244270e-01 -6.355244270e-01 4.34 -6.199008085e-01 -6.199008085e-01 4.36 -6.046306523e-01 -6.046306523e-01 4.38 -5.897077177e-01 -5.897077177e-01 4.40 -5.751257658e-01 -5.751257658e-01 4.42 -5.608785681e-01 -5.608785681e-01 4.44 -5.469599144e-01 -5.469599144e-01 4.46 -5.333636197e-01 -5.333636197e-01 4.48 -5.200835316e-01 -5.200835316e-01 4.50 -5.071135355e-01 -5.071135355e-01 4.52 -4.944475608e-01 -4.944475608e-01 4.54 -4.820795854e-01 -4.820795854e-01 4.56 -4.700036409e-01 -4.700036409e-01 4.58 -4.582138162e-01 -4.582138162e-01 4.60 -4.467042615e-01 -4.467042615e-01 4.62 -4.354691920e-01 -4.354691920e-01 4.64 -4.245028902e-01 -4.245028902e-01 4.66 -4.137997093e-01 -4.137997093e-01 4.68 -4.033540750e-01 -4.033540750e-01 4.70 -3.931604883e-01 -3.931604883e-01 4.72 -3.832135265e-01 -3.832135265e-01 4.74 -3.735078455e-01 -3.735078455e-01 4.76 -3.640381808e-01 -3.640381808e-01 4.78 -3.547993487e-01 -3.547993487e-01 4.80 -3.457862472e-01 -3.457862472e-01 4.82 -3.369938568e-01 -3.369938568e-01 4.84 -3.284172413e-01 -3.284172413e-01 4.86 -3.200515476e-01 -3.200515476e-01 4.88 -3.118920065e-01 -3.118920065e-01 4.90 -3.039339329e-01 -3.039339329e-01 4.92 -2.961727254e-01 -2.961727254e-01 4.94 -2.886038662e-01 -2.886038662e-01 4.96 -2.812229213e-01 -2.812229213e-01 4.98 -2.740255400e-01 -2.740255400e-01 5.00 -2.670074542e-01 -2.670074542e-01 5.02 -2.601644781e-01 -2.601644781e-01 5.04 -2.534925078e-01 -2.534925078e-01 5.06 -2.469875206e-01 -2.469875206e-01 5.08 -2.406455739e-01 -2.406455739e-01 5.10 -2.344628050e-01 -2.344628050e-01 5.12 -2.284354299e-01 -2.284354299e-01 5.14 -2.225597426e-01 -2.225597426e-01 5.16 -2.168321143e-01 -2.168321143e-01 5.18 -2.112489922e-01 -2.112489922e-01 5.20 -2.058068986e-01 -2.058068986e-01 5.22 -2.005024302e-01 -2.005024302e-01 5.24 -1.953322565e-01 -1.953322565e-01 5.26 -1.902931194e-01 -1.902931194e-01 5.28 -1.853818317e-01 -1.853818317e-01 5.30 -1.805952761e-01 -1.805952761e-01 5.32 -1.759304042e-01 -1.759304042e-01 5.34 -1.713842352e-01 -1.713842352e-01 5.36 -1.669538552e-01 -1.669538552e-01 5.38 -1.626364154e-01 -1.626364154e-01 5.40 -1.584291318e-01 -1.584291318e-01 5.42 -1.543292834e-01 -1.543292834e-01 5.44 -1.503342112e-01 -1.503342112e-01 5.46 -1.172489266e-01 -1.172489266e-01 5.48 -1.143065379e-01 -1.143065379e-01 5.50 -1.114366212e-01 -1.114366212e-01 5.52 -1.086374635e-01 -1.086374635e-01 5.54 -1.059073887e-01 -1.059073887e-01 5.56 -1.032447567e-01 -1.032447567e-01 5.58 -1.006479629e-01 -1.006479629e-01 5.60 -9.811543765e-02 -9.811543765e-02 5.62 -9.564564559e-02 -9.564564559e-02 5.64 -9.323708514e-02 -9.323708514e-02 5.66 -9.088828791e-02 -9.088828791e-02 5.68 -8.859781806e-02 -8.859781806e-02 5.70 -8.636427179e-02 -8.636427179e-02 5.72 -8.418627671e-02 -8.418627671e-02 5.74 -8.206249130e-02 -8.206249130e-02 5.76 -7.999160430e-02 -7.999160430e-02 5.78 -7.797233419e-02 -7.797233419e-02 5.80 -7.600342856e-02 -7.600342856e-02 5.82 -7.408366361e-02 -7.408366361e-02 5.84 -7.221184358e-02 -7.221184358e-02 5.86 -7.038680015e-02 -7.038680015e-02 5.88 -6.860739197e-02 -6.860739197e-02 5.90 -6.687250407e-02 -6.687250407e-02 5.92 -6.518104736e-02 -6.518104736e-02 5.94 -6.353195805e-02 -6.353195805e-02 5.96 -6.192419720e-02 -6.192419720e-02 5.98 -6.035675016e-02 -6.035675016e-02 6.00 -5.882862610e-02 -5.882862610e-02