# 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 = AlCo2Cr # 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 2.364325652e+02 2.364325652e+02 1.10 2.181968003e+02 2.181968003e+02 1.12 2.011056772e+02 2.011056772e+02 1.14 1.852915266e+02 1.852915266e+02 1.16 1.709422313e+02 1.709422313e+02 1.18 1.576387233e+02 1.576387233e+02 1.20 1.457956204e+02 1.457956204e+02 1.22 1.344557650e+02 1.344557650e+02 1.24 1.238827425e+02 1.238827425e+02 1.26 1.143192796e+02 1.143193514e+02 1.28 1.054337233e+02 1.054337233e+02 1.30 9.723807477e+01 9.723807477e+01 1.32 8.950354506e+01 8.950354506e+01 1.34 8.264838099e+01 8.264838099e+01 1.36 7.600428360e+01 7.600428360e+01 1.38 6.988565997e+01 6.988565997e+01 1.40 6.419808543e+01 6.419808543e+01 1.42 5.893445790e+01 5.893445790e+01 1.44 5.434808681e+01 5.434808681e+01 1.46 5.003007169e+01 5.003007169e+01 1.48 4.579965629e+01 4.579965629e+01 1.50 4.188250824e+01 4.188250824e+01 1.52 3.835696814e+01 3.835696814e+01 1.54 3.518667125e+01 3.518667125e+01 1.56 3.204445107e+01 3.204445107e+01 1.58 2.917162211e+01 2.917162211e+01 1.60 2.647338759e+01 2.647338759e+01 1.62 2.397483070e+01 2.397483070e+01 1.64 2.166132977e+01 2.166132977e+01 1.66 1.961769292e+01 1.961769292e+01 1.68 1.772422206e+01 1.772422206e+01 1.70 1.587130448e+01 1.587130448e+01 1.72 1.415715934e+01 1.415715934e+01 1.74 1.267819846e+01 1.267819846e+01 1.76 1.120305721e+01 1.120305721e+01 1.78 9.839848772e+00 9.839848772e+00 1.80 8.580613489e+00 8.580613489e+00 1.82 7.549633728e+00 7.549633728e+00 1.84 6.465309643e+00 6.465309643e+00 1.86 5.664720167e+00 5.664720167e+00 1.88 4.726237098e+00 4.726237098e+00 1.90 3.862136005e+00 3.862136005e+00 1.92 3.067156039e+00 3.067156039e+00 1.94 2.390796381e+00 2.390796381e+00 1.96 1.715419581e+00 1.715419581e+00 1.98 1.095871059e+00 1.095871059e+00 2.00 5.282040064e-01 5.282040064e-01 2.02 8.748624545e-03 8.748624545e-03 2.04 -4.659083848e-01 -4.659083848e-01 2.06 -8.989426769e-01 -8.989426769e-01 2.08 -1.293309620e+00 -1.293309620e+00 2.10 -1.562259321e+00 -1.562261045e+00 2.12 -1.845175914e+00 -1.845175914e+00 2.14 -2.149247360e+00 -2.149247360e+00 2.16 -2.423822544e+00 -2.423822544e+00 2.18 -2.671027645e+00 -2.671027645e+00 2.20 -2.892843529e+00 -2.892843529e+00 2.22 -3.091115938e+00 -3.091115938e+00 2.24 -3.158750397e+00 -3.158750397e+00 2.26 -3.322526951e+00 -3.322526951e+00 2.28 -3.467052812e+00 -3.467052812e+00 2.30 -3.593757013e+00 -3.593757013e+00 2.32 -3.703971636e+00 -3.703971636e+00 2.34 -3.798938423e+00 -3.798938423e+00 2.36 -3.879814908e+00 -3.879814908e+00 2.38 -3.947680112e+00 -3.947680112e+00 2.40 -4.003539841e+00 -4.003539841e+00 2.42 -4.048331608e+00 -4.048331608e+00 2.44 -3.976965019e+00 -3.976965019e+00 2.46 -4.009134457e+00 -4.009134457e+00 2.48 -4.032228667e+00 -4.032228667e+00 2.50 -4.046984120e+00 -4.046984120e+00 2.52 -3.952954658e+00 -3.952954658e+00 2.54 -3.959491111e+00 -3.959491111e+00 2.56 -3.959200143e+00 -3.959200143e+00 2.58 -3.952662165e+00 -3.952662165e+00 2.60 -3.940417744e+00 -3.940417744e+00 2.62 -3.922970205e+00 -3.922970205e+00 2.64 -3.900788070e+00 -3.900788070e+00 2.66 -3.874307329e+00 -3.874307329e+00 2.68 -3.843933571e+00 -3.843933571e+00 2.70 -3.810043962e+00 -3.810043962e+00 2.72 -3.772989109e+00 -3.772989109e+00 2.74 -3.705616034e+00 -3.705616034e+00 2.76 -3.664751349e+00 -3.664751349e+00 2.78 -3.621541202e+00 -3.621541202e+00 2.80 -3.576251289e+00 -3.576251289e+00 2.82 -3.529128077e+00 -3.529128077e+00 2.84 -3.480400058e+00 -3.480400058e+00 2.86 -3.430278926e+00 -3.430278926e+00 2.88 -3.378960679e+00 -3.378960679e+00 2.90 -3.326626645e+00 -3.326626645e+00 2.92 -3.273444448e+00 -3.273444448e+00 2.94 -3.219568910e+00 -3.219568910e+00 2.96 -3.165142895e+00 -3.165142895e+00 2.98 -3.110298100e+00 -3.110298100e+00 3.00 -3.055155797e+00 -3.055155797e+00 3.02 -2.999827522e+00 -2.999827522e+00 3.04 -2.944415728e+00 -2.944415728e+00 3.06 -2.889014390e+00 -2.889014390e+00 3.08 -2.833709578e+00 -2.833709578e+00 3.10 -2.778579986e+00 -2.778579986e+00 3.12 -2.723697430e+00 -2.723697430e+00 3.14 -2.669127322e+00 -2.669127322e+00 3.16 -2.580521382e+00 -2.580521382e+00 3.18 -2.528510829e+00 -2.528510829e+00 3.20 -2.476884874e+00 -2.476884874e+00 3.22 -2.425691942e+00 -2.425691942e+00 3.24 -2.374975749e+00 -2.374975749e+00 3.26 -2.324775631e+00 -2.324775631e+00 3.28 -2.275126846e+00 -2.275126846e+00 3.30 -2.121860249e+00 -2.121860249e+00 3.32 -2.078497960e+00 -2.078497960e+00 3.34 -2.035522962e+00 -2.035522962e+00 3.36 -1.992968874e+00 -1.992968874e+00 3.38 -1.950865929e+00 -1.950865929e+00 3.40 -1.909241203e+00 -1.909241203e+00 3.42 -1.868118836e+00 -1.868118836e+00 3.44 -1.827520228e+00 -1.827520228e+00 3.46 -1.787464240e+00 -1.787464240e+00 3.48 -1.747967366e+00 -1.747967366e+00 3.50 -1.709043906e+00 -1.709043906e+00 3.52 -1.670706121e+00 -1.670706121e+00 3.54 -1.632964381e+00 -1.632964381e+00 3.56 -1.595827308e+00 -1.595827308e+00 3.58 -1.559301900e+00 -1.559301900e+00 3.60 -1.523393655e+00 -1.523393655e+00 3.62 -1.488106690e+00 -1.488106690e+00 3.64 -1.453443839e+00 -1.453443839e+00 3.66 -1.419406761e+00 -1.419406761e+00 3.68 -1.385996029e+00 -1.385996029e+00 3.70 -1.353211220e+00 -1.353211220e+00 3.72 -1.321050994e+00 -1.321050994e+00 3.74 -1.289513177e+00 -1.289513177e+00 3.76 -1.258594824e+00 -1.258594824e+00 3.78 -1.228292294e+00 -1.228292294e+00 3.80 -1.198601307e+00 -1.198601307e+00 3.82 -1.169517006e+00 -1.169517006e+00 3.84 -1.141034009e+00 -1.141034009e+00 3.86 -1.056457596e+00 -1.056457596e+00 3.88 -1.031464108e+00 -1.031464108e+00 3.90 -1.006959295e+00 -1.006959295e+00 3.92 -9.829399579e-01 -9.829399579e-01 3.94 -9.594024426e-01 -9.594024426e-01 3.96 -9.363426844e-01 -9.363426844e-01 3.98 -9.137562453e-01 -9.137562453e-01 4.00 -8.916383503e-01 -8.916383503e-01 4.02 -8.699839214e-01 -8.699839214e-01 4.04 -8.487876091e-01 -8.487876091e-01 4.06 -8.280438218e-01 -8.280438218e-01 4.08 -8.077467534e-01 -8.077467534e-01 4.10 -7.878904084e-01 -7.878904084e-01 4.12 -7.684686263e-01 -7.684686263e-01 4.14 -7.494751034e-01 -7.494751034e-01 4.16 -7.309034134e-01 -7.309034134e-01 4.18 -7.127470267e-01 -7.127470267e-01 4.20 -6.949993280e-01 -6.949993280e-01 4.22 -6.776536329e-01 -6.776536329e-01 4.24 -6.607032028e-01 -6.607032028e-01 4.26 -6.441412598e-01 -6.441412598e-01 4.28 -6.279609988e-01 -6.279609988e-01 4.30 -6.121556002e-01 -6.121556002e-01 4.32 -5.967182409e-01 -5.967182409e-01 4.34 -5.816421043e-01 -5.816421043e-01 4.36 -5.669203900e-01 -5.669203900e-01 4.38 -5.525463222e-01 -5.525463222e-01 4.40 -5.385131579e-01 -5.385131579e-01 4.42 -5.248141938e-01 -5.248141938e-01 4.44 -5.114427730e-01 -5.114427730e-01 4.46 -4.983922912e-01 -4.983922912e-01 4.48 -4.856562022e-01 -4.856562022e-01 4.50 -4.732280222e-01 -4.732280222e-01 4.52 -4.611013350e-01 -4.611013350e-01 4.54 -4.492697958e-01 -4.492697958e-01 4.56 -4.377271345e-01 -4.377271345e-01 4.58 -4.264671591e-01 -4.264671591e-01 4.60 -4.154837585e-01 -4.154837585e-01 4.62 -4.047709050e-01 -4.047709050e-01 4.64 -3.943226563e-01 -3.943226563e-01 4.66 -3.841331576e-01 -3.841331576e-01 4.68 -3.741966429e-01 -3.741966429e-01 4.70 -3.645074367e-01 -3.645074367e-01 4.72 -3.550599546e-01 -3.550599546e-01 4.74 -3.458487046e-01 -3.458487046e-01 4.76 -3.368682876e-01 -3.368682876e-01 4.78 -3.281133979e-01 -3.281133979e-01 4.80 -3.195788233e-01 -3.195788233e-01 4.82 -3.112594458e-01 -3.112594458e-01 4.84 -3.031502408e-01 -3.031502408e-01 4.86 -2.952462778e-01 -2.952462778e-01 4.88 -2.875427193e-01 -2.875427193e-01 4.90 -2.800348212e-01 -2.800348212e-01 4.92 -2.727179317e-01 -2.727179317e-01 4.94 -2.655874911e-01 -2.655874911e-01 4.96 -2.586390310e-01 -2.586390310e-01 4.98 -2.518681735e-01 -2.518681735e-01 5.00 -2.452706304e-01 -2.452706304e-01 5.02 -2.388422023e-01 -2.388422023e-01 5.04 -2.325787779e-01 -2.325787779e-01 5.06 -2.264763325e-01 -2.264763325e-01 5.08 -2.205309275e-01 -2.205309275e-01 5.10 -2.147387089e-01 -2.147387089e-01 5.12 -2.090959063e-01 -2.090959063e-01 5.14 -2.035988318e-01 -2.035988318e-01 5.16 -1.982438789e-01 -1.982438789e-01 5.18 -1.930275210e-01 -1.930275210e-01 5.20 -1.879463105e-01 -1.879463105e-01 5.22 -1.829968773e-01 -1.829968773e-01 5.24 -1.781759276e-01 -1.781759276e-01 5.26 -1.734802427e-01 -1.734802427e-01 5.28 -1.689066777e-01 -1.689066777e-01 5.30 -1.644521602e-01 -1.644521602e-01 5.32 -1.601136889e-01 -1.601136889e-01 5.34 -1.558883325e-01 -1.558883325e-01 5.36 -1.517732283e-01 -1.517732283e-01 5.38 -1.477655810e-01 -1.477655810e-01 5.40 -1.438626611e-01 -1.438626611e-01 5.42 -1.400618043e-01 -1.400618043e-01 5.44 -1.363604093e-01 -1.363604093e-01 5.46 -1.064249231e-01 -1.064249231e-01 5.48 -1.037018812e-01 -1.037018812e-01 5.50 -1.010474454e-01 -1.010474454e-01 5.52 -9.845994618e-02 -9.845994618e-02 5.54 -9.593775173e-02 -9.593775173e-02 5.56 -9.347926685e-02 -9.347926685e-02 5.58 -9.108293242e-02 -9.108293242e-02 5.60 -8.874722475e-02 -8.874722475e-02 5.62 -8.647065487e-02 -8.647065487e-02 5.64 -8.425176798e-02 -8.425176798e-02 5.66 -8.208914269e-02 -8.208914269e-02 5.68 -7.998139048e-02 -7.998139048e-02 5.70 -7.792715500e-02 -7.792715500e-02 5.72 -7.592511146e-02 -7.592511146e-02 5.74 -7.397396599e-02 -7.397396599e-02 5.76 -7.207245506e-02 -7.207245506e-02 5.78 -7.021934482e-02 -7.021934482e-02 5.80 -6.841343053e-02 -6.841343053e-02 5.82 -6.665353591e-02 -6.665353591e-02 5.84 -6.493851262e-02 -6.493851262e-02 5.86 -6.326723962e-02 -6.326723962e-02 5.88 -6.163862262e-02 -6.163862262e-02 5.90 -6.005159350e-02 -6.005159350e-02 5.92 -5.850510974e-02 -5.850510974e-02 5.94 -5.699815390e-02 -5.699815390e-02 5.96 -5.552973305e-02 -5.552973305e-02 5.98 -5.409887823e-02 -5.409887823e-02 6.00 -5.270464396e-02 -5.270464396e-02