# 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 = Al2CoNi # 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 2.316864608e+02 2.316864608e+02 1.10 2.144640335e+02 2.144640335e+02 1.12 1.981649582e+02 1.981649582e+02 1.14 1.830266954e+02 1.830266954e+02 1.16 1.693437406e+02 1.693437406e+02 1.18 1.566066751e+02 1.566066751e+02 1.20 1.454189898e+02 1.454189898e+02 1.22 1.345163081e+02 1.345163081e+02 1.24 1.242954289e+02 1.242954289e+02 1.26 1.151126792e+02 1.151126950e+02 1.28 1.065384890e+02 1.065384890e+02 1.30 9.862051325e+01 9.862051325e+01 1.32 9.107881734e+01 9.107881734e+01 1.34 8.450260212e+01 8.450260212e+01 1.36 7.798945196e+01 7.798945196e+01 1.38 7.198857909e+01 7.198857909e+01 1.40 6.639028953e+01 6.639028953e+01 1.42 6.119839653e+01 6.119839653e+01 1.44 5.675986742e+01 5.675986742e+01 1.46 5.254560373e+01 5.254560373e+01 1.48 4.833017624e+01 4.833017624e+01 1.50 4.441754742e+01 4.441754742e+01 1.52 4.092952689e+01 4.092952689e+01 1.54 3.780659608e+01 3.780659608e+01 1.56 3.463523127e+01 3.463523127e+01 1.58 3.173897505e+01 3.173897505e+01 1.60 2.899956708e+01 2.899956708e+01 1.62 2.645536486e+01 2.645536486e+01 1.64 2.409234902e+01 2.409234902e+01 1.66 2.203709151e+01 2.203709151e+01 1.68 2.011658845e+01 2.011658845e+01 1.70 1.820043072e+01 1.820043072e+01 1.72 1.642146506e+01 1.642146506e+01 1.74 1.491023706e+01 1.491023706e+01 1.76 1.336575068e+01 1.336575068e+01 1.78 1.193274407e+01 1.193274407e+01 1.80 1.060351167e+01 1.060351167e+01 1.82 9.556720268e+00 9.556720268e+00 1.84 8.399216110e+00 8.399216110e+00 1.86 7.589619295e+00 7.589619295e+00 1.88 6.574772748e+00 6.574772748e+00 1.90 5.635528455e+00 5.635528455e+00 1.92 4.766726120e+00 4.766726120e+00 1.94 4.035141028e+00 4.035141028e+00 1.96 3.287736241e+00 3.287736241e+00 1.98 2.597766942e+00 2.597766942e+00 2.00 1.961334357e+00 1.961334357e+00 2.02 1.374807182e+00 1.374807182e+00 2.04 8.348019853e-01 8.348019853e-01 2.06 3.381651685e-01 3.381651685e-01 2.08 -1.180436306e-01 -1.180436306e-01 2.10 -4.188578340e-01 -4.188582144e-01 2.12 -7.462291806e-01 -7.462291806e-01 2.14 -1.109499805e+00 -1.109499805e+00 2.16 -1.441350051e+00 -1.441350051e+00 2.18 -1.743925914e+00 -1.743925914e+00 2.20 -2.019231398e+00 -2.019231398e+00 2.22 -2.269138288e+00 -2.269138288e+00 2.24 -2.352189659e+00 -2.352189659e+00 2.26 -2.565880852e+00 -2.565880852e+00 2.28 -2.758460759e+00 -2.758460759e+00 2.30 -2.931396933e+00 -2.931396933e+00 2.32 -3.086061250e+00 -3.086061250e+00 2.34 -3.223736266e+00 -3.223736266e+00 2.36 -3.345621143e+00 -3.345621143e+00 2.38 -3.452837141e+00 -3.452837141e+00 2.40 -3.546432742e+00 -3.546432742e+00 2.42 -3.627388407e+00 -3.627388407e+00 2.44 -3.547142656e+00 -3.547142656e+00 2.46 -3.614540101e+00 -3.614540101e+00 2.48 -3.671329863e+00 -3.671329863e+00 2.50 -3.718294137e+00 -3.718294137e+00 2.52 -3.622862027e+00 -3.622862027e+00 2.54 -3.660488972e+00 -3.660488972e+00 2.56 -3.689849458e+00 -3.689849458e+00 2.58 -3.711571814e+00 -3.711571814e+00 2.60 -3.726243747e+00 -3.726243747e+00 2.62 -3.734414894e+00 -3.734414894e+00 2.64 -3.736599206e+00 -3.736599206e+00 2.66 -3.733277191e+00 -3.733277191e+00 2.68 -3.724897996e+00 -3.724897996e+00 2.70 -3.711881377e+00 -3.711881377e+00 2.72 -3.694619524e+00 -3.694619524e+00 2.74 -3.637333699e+00 -3.637333699e+00 2.76 -3.614615787e+00 -3.614615787e+00 2.78 -3.588574573e+00 -3.588574573e+00 2.80 -3.559513806e+00 -3.559513806e+00 2.82 -3.527716963e+00 -3.527716963e+00 2.84 -3.493448499e+00 -3.493448499e+00 2.86 -3.456955031e+00 -3.456955031e+00 2.88 -3.418466444e+00 -3.418466444e+00 2.90 -3.378196929e+00 -3.378196929e+00 2.92 -3.336345960e+00 -3.336345960e+00 2.94 -3.293099207e+00 -3.293099207e+00 2.96 -3.248629393e+00 -3.248629393e+00 2.98 -3.203097106e+00 -3.203097106e+00 3.00 -3.156651551e+00 -3.156651551e+00 3.02 -3.109431260e+00 -3.109431260e+00 3.04 -3.061564765e+00 -3.061564765e+00 3.06 -3.013171218e+00 -3.013171218e+00 3.08 -2.964360987e+00 -2.964360987e+00 3.10 -2.915236200e+00 -2.915236200e+00 3.12 -2.865891274e+00 -2.865891274e+00 3.14 -2.816413393e+00 -2.816413393e+00 3.16 -2.718241807e+00 -2.718241807e+00 3.18 -2.671025169e+00 -2.671025169e+00 3.20 -2.623790526e+00 -2.623790526e+00 3.22 -2.576605471e+00 -2.576605471e+00 3.24 -2.529532174e+00 -2.529532174e+00 3.26 -2.482627724e+00 -2.482627724e+00 3.28 -2.435944460e+00 -2.435944460e+00 3.30 -2.252349364e+00 -2.252349364e+00 3.32 -2.212688539e+00 -2.212688539e+00 3.34 -2.173080094e+00 -2.173080094e+00 3.36 -2.133574021e+00 -2.133574021e+00 3.38 -2.094216291e+00 -2.094216291e+00 3.40 -2.055049113e+00 -2.055049113e+00 3.42 -2.016111160e+00 -2.016111160e+00 3.44 -1.977437796e+00 -1.977437796e+00 3.46 -1.939061284e+00 -1.939061284e+00 3.48 -1.901010980e+00 -1.901010980e+00 3.50 -1.863313523e+00 -1.863313523e+00 3.52 -1.825993007e+00 -1.825993007e+00 3.54 -1.789071146e+00 -1.789071146e+00 3.56 -1.752567429e+00 -1.752567429e+00 3.58 -1.716499267e+00 -1.716499267e+00 3.60 -1.680882127e+00 -1.680882127e+00 3.62 -1.645729669e+00 -1.645729669e+00 3.64 -1.611053858e+00 -1.611053858e+00 3.66 -1.576865085e+00 -1.576865085e+00 3.68 -1.543172275e+00 -1.543172275e+00 3.70 -1.509982986e+00 -1.509982986e+00 3.72 -1.477303504e+00 -1.477303504e+00 3.74 -1.445138937e+00 -1.445138937e+00 3.76 -1.413493295e+00 -1.413493295e+00 3.78 -1.382369571e+00 -1.382369571e+00 3.80 -1.351769816e+00 -1.351769816e+00 3.82 -1.321695209e+00 -1.321695209e+00 3.84 -1.292146123e+00 -1.292146123e+00 3.86 -1.188671558e+00 -1.188671558e+00 3.88 -1.163048657e+00 -1.163048657e+00 3.90 -1.137837357e+00 -1.137837357e+00 3.92 -1.113039603e+00 -1.113039603e+00 3.94 -1.088656655e+00 -1.088656655e+00 3.96 -1.064689131e+00 -1.064689131e+00 3.98 -1.041137062e+00 -1.041137062e+00 4.00 -1.017999930e+00 -1.017999930e+00 4.02 -9.952767146e-01 -9.952767146e-01 4.04 -9.729659286e-01 -9.729659286e-01 4.06 -9.510656581e-01 -9.510656581e-01 4.08 -9.295735962e-01 -9.295735962e-01 4.10 -9.084870750e-01 -9.084870750e-01 4.12 -8.878030974e-01 -8.878030974e-01 4.14 -8.675183651e-01 -8.675183651e-01 4.16 -8.476293061e-01 -8.476293061e-01 4.18 -8.281320999e-01 -8.281320999e-01 4.20 -8.090227011e-01 -8.090227011e-01 4.22 -7.902968618e-01 -7.902968618e-01 4.24 -7.719501525e-01 -7.719501525e-01 4.26 -7.539779816e-01 -7.539779816e-01 4.28 -7.363756133e-01 -7.363756133e-01 4.30 -7.191381853e-01 -7.191381853e-01 4.32 -7.022607242e-01 -7.022607242e-01 4.34 -6.857381605e-01 -6.857381605e-01 4.36 -6.695653426e-01 -6.695653426e-01 4.38 -6.537370496e-01 -6.537370496e-01 4.40 -6.382480037e-01 -6.382480037e-01 4.42 -6.230928808e-01 -6.230928808e-01 4.44 -6.082663216e-01 -6.082663216e-01 4.46 -5.937629407e-01 -5.937629407e-01 4.48 -5.795773361e-01 -5.795773361e-01 4.50 -5.657040972e-01 -5.657040972e-01 4.52 -5.521378126e-01 -5.521378126e-01 4.54 -5.388730776e-01 -5.388730776e-01 4.56 -5.259045000e-01 -5.259045000e-01 4.58 -5.132267070e-01 -5.132267070e-01 4.60 -5.008343503e-01 -5.008343503e-01 4.62 -4.887221116e-01 -4.887221116e-01 4.64 -4.768847067e-01 -4.768847067e-01 4.66 -4.653168905e-01 -4.653168905e-01 4.68 -4.540134608e-01 -4.540134608e-01 4.70 -4.429692615e-01 -4.429692615e-01 4.72 -4.321791860e-01 -4.321791860e-01 4.74 -4.216381806e-01 -4.216381806e-01 4.76 -4.113412465e-01 -4.113412465e-01 4.78 -4.012834426e-01 -4.012834426e-01 4.80 -3.914598874e-01 -3.914598874e-01 4.82 -3.818657612e-01 -3.818657612e-01 4.84 -3.724963073e-01 -3.724963073e-01 4.86 -3.633468339e-01 -3.633468339e-01 4.88 -3.544127150e-01 -3.544127150e-01 4.90 -3.456893918e-01 -3.456893918e-01 4.92 -3.371723734e-01 -3.371723734e-01 4.94 -3.288572376e-01 -3.288572376e-01 4.96 -3.207396316e-01 -3.207396316e-01 4.98 -3.128152723e-01 -3.128152723e-01 5.00 -3.050799467e-01 -3.050799467e-01 5.02 -2.975295124e-01 -2.975295124e-01 5.04 -2.901598971e-01 -2.901598971e-01 5.06 -2.829670994e-01 -2.829670994e-01 5.08 -2.759471880e-01 -2.759471880e-01 5.10 -2.690963020e-01 -2.690963020e-01 5.12 -2.624106506e-01 -2.624106506e-01 5.14 -2.558865124e-01 -2.558865124e-01 5.16 -2.495202356e-01 -2.495202356e-01 5.18 -2.433082370e-01 -2.433082370e-01 5.20 -2.372470021e-01 -2.372470021e-01 5.22 -2.313330840e-01 -2.313330840e-01 5.24 -2.255631029e-01 -2.255631029e-01 5.26 -2.199337457e-01 -2.199337457e-01 5.28 -2.144417652e-01 -2.144417652e-01 5.30 -2.090839793e-01 -2.090839793e-01 5.32 -2.038572703e-01 -2.038572703e-01 5.34 -1.987585843e-01 -1.987585843e-01 5.36 -1.937849299e-01 -1.937849299e-01 5.38 -1.889333781e-01 -1.889333781e-01 5.40 -1.842010609e-01 -1.842010609e-01 5.42 -1.795851704e-01 -1.795851704e-01 5.44 -1.750829586e-01 -1.750829586e-01 5.46 -1.335295257e-01 -1.335295257e-01 5.48 -1.302679631e-01 -1.302679631e-01 5.50 -1.270842117e-01 -1.270842117e-01 5.52 -1.239765086e-01 -1.239765086e-01 5.54 -1.209431263e-01 -1.209431263e-01 5.56 -1.179823718e-01 -1.179823718e-01 5.58 -1.150925864e-01 -1.150925864e-01 5.60 -1.122721452e-01 -1.122721452e-01 5.62 -1.095194564e-01 -1.095194564e-01 5.64 -1.068329611e-01 -1.068329611e-01 5.66 -1.042111329e-01 -1.042111329e-01 5.68 -1.016524771e-01 -1.016524771e-01 5.70 -9.915553039e-02 -9.915553039e-02 5.72 -9.671886035e-02 -9.671886035e-02 5.74 -9.434106498e-02 -9.434106498e-02 5.76 -9.202077215e-02 -9.202077215e-02 5.78 -8.975663917e-02 -8.975663917e-02 5.80 -8.754735224e-02 -8.754735224e-02 5.82 -8.539162598e-02 -8.539162598e-02 5.84 -8.328820293e-02 -8.328820293e-02 5.86 -8.123585307e-02 -8.123585307e-02 5.88 -7.923337333e-02 -7.923337333e-02 5.90 -7.727958710e-02 -7.727958710e-02 5.92 -7.537334373e-02 -7.537334373e-02 5.94 -7.351351808e-02 -7.351351808e-02 5.96 -7.169901003e-02 -7.169901003e-02 5.98 -6.992874399e-02 -6.992874399e-02 6.00 -6.820166847e-02 -6.820166847e-02