# 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 = Al2FeNi # 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 2.304273784e+02 2.304273784e+02 1.10 2.133777309e+02 2.133777309e+02 1.12 1.972137802e+02 1.972137802e+02 1.14 1.821935411e+02 1.821935411e+02 1.16 1.686301626e+02 1.686301626e+02 1.18 1.559928590e+02 1.559928590e+02 1.20 1.449201348e+02 1.449201348e+02 1.22 1.340968711e+02 1.340968711e+02 1.24 1.239430726e+02 1.239430726e+02 1.26 1.148309071e+02 1.148309092e+02 1.28 1.063195303e+02 1.063195303e+02 1.30 9.845518223e+01 9.845518223e+01 1.32 9.095519909e+01 9.095519909e+01 1.34 8.443121773e+01 8.443121773e+01 1.36 7.794997113e+01 7.794997113e+01 1.38 7.197854388e+01 7.197854388e+01 1.40 6.640531816e+01 6.640531816e+01 1.42 6.123555891e+01 6.123555891e+01 1.44 5.683540188e+01 5.683540188e+01 1.46 5.264565248e+01 5.264565248e+01 1.48 4.844265977e+01 4.844265977e+01 1.50 4.454062910e+01 4.454062910e+01 1.52 4.106589754e+01 4.106589754e+01 1.54 3.796306824e+01 3.796306824e+01 1.56 3.479632597e+01 3.479632597e+01 1.58 3.190505428e+01 3.190505428e+01 1.60 2.916797038e+01 2.916797038e+01 1.62 2.662517528e+01 2.662517528e+01 1.64 2.426274212e+01 2.426274212e+01 1.66 2.221154874e+01 2.221154874e+01 1.68 2.029634787e+01 2.029634787e+01 1.70 1.837798041e+01 1.837798041e+01 1.72 1.659633960e+01 1.659633960e+01 1.74 1.508636631e+01 1.508636631e+01 1.76 1.353809540e+01 1.353809540e+01 1.78 1.210102002e+01 1.210102002e+01 1.80 1.076747603e+01 1.076747603e+01 1.82 9.721766749e+00 9.721766749e+00 1.84 8.559154788e+00 8.559154788e+00 1.86 7.757378533e+00 7.757378533e+00 1.88 6.736360017e+00 6.736360017e+00 1.90 5.790940143e+00 5.790940143e+00 1.92 4.915977550e+00 4.915977550e+00 1.94 4.180477197e+00 4.180477197e+00 1.96 3.426834853e+00 3.426834853e+00 1.98 2.730699411e+00 2.730699411e+00 2.00 2.088183345e+00 2.088183345e+00 2.02 1.495665239e+00 1.495665239e+00 2.04 9.497702983e-01 9.497702983e-01 2.06 4.473524309e-01 4.473524309e-01 2.08 -1.452226000e-02 -1.452226000e-02 2.10 -3.151195504e-01 -3.151195998e-01 2.12 -6.450417745e-01 -6.450417745e-01 2.14 -1.014112890e+00 -1.014112890e+00 2.16 -1.351603212e+00 -1.351603212e+00 2.18 -1.659657581e+00 -1.659657581e+00 2.20 -1.940279397e+00 -1.940279397e+00 2.22 -2.195340346e+00 -2.195340346e+00 2.24 -2.278956707e+00 -2.278956707e+00 2.26 -2.497752030e+00 -2.497752030e+00 2.28 -2.695259948e+00 -2.695259948e+00 2.30 -2.872950314e+00 -2.872950314e+00 2.32 -3.032197548e+00 -3.032197548e+00 2.34 -3.174286966e+00 -3.174286966e+00 2.36 -3.300420676e+00 -3.300420676e+00 2.38 -3.411723041e+00 -3.411723041e+00 2.40 -3.509245781e+00 -3.509245781e+00 2.42 -3.593972710e+00 -3.593972710e+00 2.44 -3.512843504e+00 -3.512843504e+00 2.46 -3.583965310e+00 -3.583965310e+00 2.48 -3.644320410e+00 -3.644320410e+00 2.50 -3.694695290e+00 -3.694695290e+00 2.52 -3.595930111e+00 -3.595930111e+00 2.54 -3.636998804e+00 -3.636998804e+00 2.56 -3.669644011e+00 -3.669644011e+00 2.58 -3.694498901e+00 -3.694498901e+00 2.60 -3.712155970e+00 -3.712155970e+00 2.62 -3.723169583e+00 -3.723169583e+00 2.64 -3.728058357e+00 -3.728058357e+00 2.66 -3.727307390e+00 -3.727307390e+00 2.68 -3.721370345e+00 -3.721370345e+00 2.70 -3.710671408e+00 -3.710671408e+00 2.72 -3.695607119e+00 -3.695607119e+00 2.74 -3.639286317e+00 -3.639286317e+00 2.76 -3.618594953e+00 -3.618594953e+00 2.78 -3.594469937e+00 -3.594469937e+00 2.80 -3.567219118e+00 -3.567219118e+00 2.82 -3.537129968e+00 -3.537129968e+00 2.84 -3.504470836e+00 -3.504470836e+00 2.86 -3.469492132e+00 -3.469492132e+00 2.88 -3.432427433e+00 -3.432427433e+00 2.90 -3.393494518e+00 -3.393494518e+00 2.92 -3.352896349e+00 -3.352896349e+00 2.94 -3.310821983e+00 -3.310821983e+00 2.96 -3.267447432e+00 -3.267447432e+00 2.98 -3.222936470e+00 -3.222936470e+00 3.00 -3.177441394e+00 -3.177441394e+00 3.02 -3.131103731e+00 -3.131103731e+00 3.04 -3.084054914e+00 -3.084054914e+00 3.06 -3.036416901e+00 -3.036416901e+00 3.08 -2.988302775e+00 -2.988302775e+00 3.10 -2.939817291e+00 -2.939817291e+00 3.12 -2.891057401e+00 -2.891057401e+00 3.14 -2.842112745e+00 -2.842112745e+00 3.16 -2.742957490e+00 -2.742957490e+00 3.18 -2.696242176e+00 -2.696242176e+00 3.20 -2.649461185e+00 -2.649461185e+00 3.22 -2.602684338e+00 -2.602684338e+00 3.24 -2.555975956e+00 -2.555975956e+00 3.26 -2.509395201e+00 -2.509395201e+00 3.28 -2.462996407e+00 -2.462996407e+00 3.30 -2.272901348e+00 -2.272901348e+00 3.32 -2.233708412e+00 -2.233708412e+00 3.34 -2.194525173e+00 -2.194525173e+00 3.36 -2.155403603e+00 -2.155403603e+00 3.38 -2.116391589e+00 -2.116391589e+00 3.40 -2.077533181e+00 -2.077533181e+00 3.42 -2.038868828e+00 -2.038868828e+00 3.44 -2.000435608e+00 -2.000435608e+00 3.46 -1.962267429e+00 -1.962267429e+00 3.48 -1.924395236e+00 -1.924395236e+00 3.50 -1.886847194e+00 -1.886847194e+00 3.52 -1.849648864e+00 -1.849648864e+00 3.54 -1.812823373e+00 -1.812823373e+00 3.56 -1.776391566e+00 -1.776391566e+00 3.58 -1.740372157e+00 -1.740372157e+00 3.60 -1.704781866e+00 -1.704781866e+00 3.62 -1.669635552e+00 -1.669635552e+00 3.64 -1.634946333e+00 -1.634946333e+00 3.66 -1.600725709e+00 -1.600725709e+00 3.68 -1.566983662e+00 -1.566983662e+00 3.70 -1.533728767e+00 -1.533728767e+00 3.72 -1.500968286e+00 -1.500968286e+00 3.74 -1.468708256e+00 -1.468708256e+00 3.76 -1.436953583e+00 -1.436953583e+00 3.78 -1.405708114e+00 -1.405708114e+00 3.80 -1.374974717e+00 -1.374974717e+00 3.82 -1.344755354e+00 -1.344755354e+00 3.84 -1.315051144e+00 -1.315051144e+00 3.86 -1.209116409e+00 -1.209116409e+00 3.88 -1.183402419e+00 -1.183402419e+00 3.90 -1.158088884e+00 -1.158088884e+00 3.92 -1.133178459e+00 -1.133178459e+00 3.94 -1.108673082e+00 -1.108673082e+00 3.96 -1.084574022e+00 -1.084574022e+00 3.98 -1.060881928e+00 -1.060881928e+00 4.00 -1.037596876e+00 -1.037596876e+00 4.02 -1.014718410e+00 -1.014718410e+00 4.04 -9.922455857e-01 -9.922455857e-01 4.06 -9.701770037e-01 -9.701770037e-01 4.08 -9.485108494e-01 -9.485108494e-01 4.10 -9.272449242e-01 -9.272449242e-01 4.12 -9.063766781e-01 -9.063766781e-01 4.14 -8.859032389e-01 -8.859032389e-01 4.16 -8.658214403e-01 -8.658214403e-01 4.18 -8.461278478e-01 -8.461278478e-01 4.20 -8.268187832e-01 -8.268187832e-01 4.22 -8.078903480e-01 -8.078903480e-01 4.24 -7.893384445e-01 -7.893384445e-01 4.26 -7.711587960e-01 -7.711587960e-01 4.28 -7.533469662e-01 -7.533469662e-01 4.30 -7.358983763e-01 -7.358983763e-01 4.32 -7.188083221e-01 -7.188083221e-01 4.34 -7.020719889e-01 -7.020719889e-01 4.36 -6.856844666e-01 -6.856844666e-01 4.38 -6.696407626e-01 -6.696407626e-01 4.40 -6.539358149e-01 -6.539358149e-01 4.42 -6.385645035e-01 -6.385645035e-01 4.44 -6.235216616e-01 -6.235216616e-01 4.46 -6.088020854e-01 -6.088020854e-01 4.48 -5.944005440e-01 -5.944005440e-01 4.50 -5.803117880e-01 -5.803117880e-01 4.52 -5.665305577e-01 -5.665305577e-01 4.54 -5.530515903e-01 -5.530515903e-01 4.56 -5.398696276e-01 -5.398696276e-01 4.58 -5.269794220e-01 -5.269794220e-01 4.60 -5.143757422e-01 -5.143757422e-01 4.62 -5.020533796e-01 -5.020533796e-01 4.64 -4.900071524e-01 -4.900071524e-01 4.66 -4.782319109e-01 -4.782319109e-01 4.68 -4.667225412e-01 -4.667225412e-01 4.70 -4.554739698e-01 -4.554739698e-01 4.72 -4.444811665e-01 -4.444811665e-01 4.74 -4.337391478e-01 -4.337391478e-01 4.76 -4.232429803e-01 -4.232429803e-01 4.78 -4.129877826e-01 -4.129877826e-01 4.80 -4.029687281e-01 -4.029687281e-01 4.82 -3.931810471e-01 -3.931810471e-01 4.84 -3.836200286e-01 -3.836200286e-01 4.86 -3.742810222e-01 -3.742810222e-01 4.88 -3.651594390e-01 -3.651594390e-01 4.90 -3.562507538e-01 -3.562507538e-01 4.92 -3.475505054e-01 -3.475505054e-01 4.94 -3.390542978e-01 -3.390542978e-01 4.96 -3.307578011e-01 -3.307578011e-01 4.98 -3.226567522e-01 -3.226567522e-01 5.00 -3.147469548e-01 -3.147469548e-01 5.02 -3.070242807e-01 -3.070242807e-01 5.04 -2.994846689e-01 -2.994846689e-01 5.06 -2.921241269e-01 -2.921241269e-01 5.08 -2.849387300e-01 -2.849387300e-01 5.10 -2.779246215e-01 -2.779246215e-01 5.12 -2.710780128e-01 -2.710780128e-01 5.14 -2.643951827e-01 -2.643951827e-01 5.16 -2.578724776e-01 -2.578724776e-01 5.18 -2.515063110e-01 -2.515063110e-01 5.20 -2.452931631e-01 -2.452931631e-01 5.22 -2.392295804e-01 -2.392295804e-01 5.24 -2.333121749e-01 -2.333121749e-01 5.26 -2.275376241e-01 -2.275376241e-01 5.28 -2.219026699e-01 -2.219026699e-01 5.30 -2.164041181e-01 -2.164041181e-01 5.32 -2.110388381e-01 -2.110388381e-01 5.34 -2.058037616e-01 -2.058037616e-01 5.36 -2.006958824e-01 -2.006958824e-01 5.38 -1.957122550e-01 -1.957122550e-01 5.40 -1.908499948e-01 -1.908499948e-01 5.42 -1.861062764e-01 -1.861062764e-01 5.44 -1.814783331e-01 -1.814783331e-01 5.46 -1.386814994e-01 -1.386814994e-01 5.48 -1.353270806e-01 -1.353270806e-01 5.50 -1.320518103e-01 -1.320518103e-01 5.52 -1.288539206e-01 -1.288539206e-01 5.54 -1.257316781e-01 -1.257316781e-01 5.56 -1.226833831e-01 -1.226833831e-01 5.58 -1.197073698e-01 -1.197073698e-01 5.60 -1.168020053e-01 -1.168020053e-01 5.62 -1.139656895e-01 -1.139656895e-01 5.64 -1.111968548e-01 -1.111968548e-01 5.66 -1.084939651e-01 -1.084939651e-01 5.68 -1.058555160e-01 -1.058555160e-01 5.70 -1.032800339e-01 -1.032800339e-01 5.72 -1.007660759e-01 -1.007660759e-01 5.74 -9.831222895e-02 -9.831222895e-02 5.76 -9.591710958e-02 -9.591710958e-02 5.78 -9.357936350e-02 -9.357936350e-02 5.80 -9.129766503e-02 -9.129766503e-02 5.82 -8.907071668e-02 -8.907071668e-02 5.84 -8.689724863e-02 -8.689724863e-02 5.86 -8.477601831e-02 -8.477601831e-02 5.88 -8.270580989e-02 -8.270580989e-02 5.90 -8.068543387e-02 -8.068543387e-02 5.92 -7.871372655e-02 -7.871372655e-02 5.94 -7.678954961e-02 -7.678954961e-02 5.96 -7.491178965e-02 -7.491178965e-02 5.98 -7.307935772e-02 -7.307935772e-02 6.00 -7.129118886e-02 -7.129118886e-02