# 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 = CoFeMn2 # 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 2.052534845e+02 2.052534845e+02 1.10 1.891946843e+02 1.891946843e+02 1.12 1.742002400e+02 1.742002400e+02 1.14 1.603531009e+02 1.603531009e+02 1.16 1.477629887e+02 1.477629887e+02 1.18 1.361078944e+02 1.361078944e+02 1.20 1.256786397e+02 1.256786397e+02 1.22 1.157594992e+02 1.157594992e+02 1.24 1.065381530e+02 1.065381530e+02 1.26 9.817413434e+01 9.817414435e+01 1.28 9.041430838e+01 9.041430838e+01 1.30 8.325447689e+01 8.325447689e+01 1.32 7.653275605e+01 7.653275605e+01 1.34 7.053737013e+01 7.053737013e+01 1.36 6.477573319e+01 6.477573319e+01 1.38 5.946898347e+01 5.946898347e+01 1.40 5.454495848e+01 5.454495848e+01 1.42 4.999180224e+01 4.999180224e+01 1.44 4.598476139e+01 4.598476139e+01 1.46 4.221963531e+01 4.221963531e+01 1.48 3.857710281e+01 3.857710281e+01 1.50 3.520762388e+01 3.520762388e+01 1.52 3.216509852e+01 3.216509852e+01 1.54 2.941606916e+01 2.941606916e+01 1.56 2.672524073e+01 2.672524073e+01 1.58 2.426152081e+01 2.426152081e+01 1.60 2.195673367e+01 2.195673367e+01 1.62 1.982514597e+01 1.982514597e+01 1.64 1.785397319e+01 1.785397319e+01 1.66 1.610327438e+01 1.610327438e+01 1.68 1.448191427e+01 1.448191427e+01 1.70 1.291160745e+01 1.291160745e+01 1.72 1.146108995e+01 1.146108995e+01 1.74 1.019408563e+01 1.019408563e+01 1.76 8.950930055e+00 8.950930055e+00 1.78 7.804074316e+00 7.804074316e+00 1.80 6.746588089e+00 6.746588089e+00 1.82 5.868505084e+00 5.868505084e+00 1.84 4.962325370e+00 4.962325370e+00 1.86 4.270820834e+00 4.270820834e+00 1.88 3.491395199e+00 3.491395199e+00 1.90 2.775378895e+00 2.775378895e+00 1.92 2.118219082e+00 2.118219082e+00 1.94 1.552766631e+00 1.552766631e+00 1.96 9.978061709e-01 9.978061709e-01 1.98 4.901796332e-01 4.901796332e-01 2.00 2.648203776e-02 2.648203776e-02 2.02 -3.964502142e-01 -3.964502142e-01 2.04 -7.815572939e-01 -7.815572939e-01 2.06 -1.131572453e+00 -1.131572453e+00 2.08 -1.449037211e+00 -1.449037211e+00 2.10 -1.672202570e+00 -1.672202810e+00 2.12 -1.901555628e+00 -1.901555628e+00 2.14 -2.142264010e+00 -2.142264010e+00 2.16 -2.358360701e+00 -2.358360701e+00 2.18 -2.551662191e+00 -2.551662191e+00 2.20 -2.723859039e+00 -2.723859039e+00 2.22 -2.876524770e+00 -2.876524770e+00 2.24 -2.936939102e+00 -2.936939102e+00 2.26 -3.060312956e+00 -3.060312956e+00 2.28 -3.167850375e+00 -3.167850375e+00 2.30 -3.260762586e+00 -3.260762586e+00 2.32 -3.340177153e+00 -3.340177153e+00 2.34 -3.407143742e+00 -3.407143742e+00 2.36 -3.462639476e+00 -3.462639476e+00 2.38 -3.507573897e+00 -3.507573897e+00 2.40 -3.542793586e+00 -3.542793586e+00 2.42 -3.569086445e+00 -3.569086445e+00 2.44 -3.509541121e+00 -3.509541121e+00 2.46 -3.525383768e+00 -3.525383768e+00 2.48 -3.533995486e+00 -3.533995486e+00 2.50 -3.535990318e+00 -3.535990318e+00 2.52 -3.459642957e+00 -3.459642957e+00 2.54 -3.454853517e+00 -3.454853517e+00 2.56 -3.444728858e+00 -3.444728858e+00 2.58 -3.429748435e+00 -3.429748435e+00 2.60 -3.410357871e+00 -3.410357871e+00 2.62 -3.386971204e+00 -3.386971204e+00 2.64 -3.359973000e+00 -3.359973000e+00 2.66 -3.329720312e+00 -3.329720312e+00 2.68 -3.296544512e+00 -3.296544512e+00 2.70 -3.260753009e+00 -3.260753009e+00 2.72 -3.222630837e+00 -3.222630837e+00 2.74 -3.163695757e+00 -3.163695757e+00 2.76 -3.122823177e+00 -3.122823177e+00 2.78 -3.080286430e+00 -3.080286430e+00 2.80 -3.036299169e+00 -3.036299169e+00 2.82 -2.991058968e+00 -2.991058968e+00 2.84 -2.944748401e+00 -2.944748401e+00 2.86 -2.897536047e+00 -2.897536047e+00 2.88 -2.849577427e+00 -2.849577427e+00 2.90 -2.801015888e+00 -2.801015888e+00 2.92 -2.751983415e+00 -2.751983415e+00 2.94 -2.702601409e+00 -2.702601409e+00 2.96 -2.652981396e+00 -2.652981396e+00 2.98 -2.603225704e+00 -2.603225704e+00 3.00 -2.553428086e+00 -2.553428086e+00 3.02 -2.503674310e+00 -2.503674310e+00 3.04 -2.454042708e+00 -2.454042708e+00 3.06 -2.404604687e+00 -2.404604687e+00 3.08 -2.355425209e+00 -2.355425209e+00 3.10 -2.306563239e+00 -2.306563239e+00 3.12 -2.258072169e+00 -2.258072169e+00 3.14 -2.210000204e+00 -2.210000204e+00 3.16 -2.137200329e+00 -2.137200329e+00 3.18 -2.091423287e+00 -2.091423287e+00 3.20 -2.046112361e+00 -2.046112361e+00 3.22 -2.001302115e+00 -2.001302115e+00 3.24 -1.957023346e+00 -1.957023346e+00 3.26 -1.913303364e+00 -1.913303364e+00 3.28 -1.870166237e+00 -1.870166237e+00 3.30 -1.753059503e+00 -1.753059503e+00 3.32 -1.714926889e+00 -1.714926889e+00 3.34 -1.677241531e+00 -1.677241531e+00 3.36 -1.640026313e+00 -1.640026313e+00 3.38 -1.603301448e+00 -1.603301448e+00 3.40 -1.567084676e+00 -1.567084676e+00 3.42 -1.531391437e+00 -1.531391437e+00 3.44 -1.496235041e+00 -1.496235041e+00 3.46 -1.461626827e+00 -1.461626827e+00 3.48 -1.427576307e+00 -1.427576307e+00 3.50 -1.394091305e+00 -1.394091305e+00 3.52 -1.361178088e+00 -1.361178088e+00 3.54 -1.328841483e+00 -1.328841483e+00 3.56 -1.297084990e+00 -1.297084990e+00 3.58 -1.265910890e+00 -1.265910890e+00 3.60 -1.235320343e+00 -1.235320343e+00 3.62 -1.205313477e+00 -1.205313477e+00 3.64 -1.175889477e+00 -1.175889477e+00 3.66 -1.147046664e+00 -1.147046664e+00 3.68 -1.118782570e+00 -1.118782570e+00 3.70 -1.091094008e+00 -1.091094008e+00 3.72 -1.063977138e+00 -1.063977138e+00 3.74 -1.037427526e+00 -1.037427526e+00 3.76 -1.011440203e+00 -1.011440203e+00 3.78 -9.860097146e-01 -9.860097146e-01 3.80 -9.611301740e-01 -9.611301740e-01 3.82 -9.367953045e-01 -9.367953045e-01 3.84 -9.129984832e-01 -9.129984832e-01 3.86 -8.509788903e-01 -8.509788903e-01 3.88 -8.299154252e-01 -8.299154252e-01 3.90 -8.092960541e-01 -8.092960541e-01 3.92 -7.891162341e-01 -7.891162341e-01 3.94 -7.693711169e-01 -7.693711169e-01 3.96 -7.500555812e-01 -7.500555812e-01 3.98 -7.311642628e-01 -7.311642628e-01 4.00 -7.126915829e-01 -7.126915829e-01 4.02 -6.946317740e-01 -6.946317740e-01 4.04 -6.769789044e-01 -6.769789044e-01 4.06 -6.597269005e-01 -6.597269005e-01 4.08 -6.428695677e-01 -6.428695677e-01 4.10 -6.264006101e-01 -6.264006101e-01 4.12 -6.103136481e-01 -6.103136481e-01 4.14 -5.946022355e-01 -5.946022355e-01 4.16 -5.792598743e-01 -5.792598743e-01 4.18 -5.642800293e-01 -5.642800293e-01 4.20 -5.496561411e-01 -5.496561411e-01 4.22 -5.353816382e-01 -5.353816382e-01 4.24 -5.214499479e-01 -5.214499479e-01 4.26 -5.078545069e-01 -5.078545069e-01 4.28 -4.945887701e-01 -4.945887701e-01 4.30 -4.816462198e-01 -4.816462198e-01 4.32 -4.690203728e-01 -4.690203728e-01 4.34 -4.567047882e-01 -4.567047882e-01 4.36 -4.446930735e-01 -4.446930735e-01 4.38 -4.329788906e-01 -4.329788906e-01 4.40 -4.215559608e-01 -4.215559608e-01 4.42 -4.104180702e-01 -4.104180702e-01 4.44 -3.995590736e-01 -3.995590736e-01 4.46 -3.889728982e-01 -3.889728982e-01 4.48 -3.786535474e-01 -3.786535474e-01 4.50 -3.685951036e-01 -3.685951036e-01 4.52 -3.587917309e-01 -3.587917309e-01 4.54 -3.492376774e-01 -3.492376774e-01 4.56 -3.399272771e-01 -3.399272771e-01 4.58 -3.308549518e-01 -3.308549518e-01 4.60 -3.220152123e-01 -3.220152123e-01 4.62 -3.134026599e-01 -3.134026599e-01 4.64 -3.050119870e-01 -3.050119870e-01 4.66 -2.968379779e-01 -2.968379779e-01 4.68 -2.888755093e-01 -2.888755093e-01 4.70 -2.811195510e-01 -2.811195510e-01 4.72 -2.735651656e-01 -2.735651656e-01 4.74 -2.662075084e-01 -2.662075084e-01 4.76 -2.590418281e-01 -2.590418281e-01 4.78 -2.520634655e-01 -2.520634655e-01 4.80 -2.452678538e-01 -2.452678538e-01 4.82 -2.386505178e-01 -2.386505178e-01 4.84 -2.322070736e-01 -2.322070736e-01 4.86 -2.259332274e-01 -2.259332274e-01 4.88 -2.198247753e-01 -2.198247753e-01 4.90 -2.138776019e-01 -2.138776019e-01 4.92 -2.080876800e-01 -2.080876800e-01 4.94 -2.024510690e-01 -2.024510690e-01 4.96 -1.969639144e-01 -1.969639144e-01 4.98 -1.916224464e-01 -1.916224464e-01 5.00 -1.864229788e-01 -1.864229788e-01 5.02 -1.813619079e-01 -1.813619079e-01 5.04 -1.764357115e-01 -1.764357115e-01 5.06 -1.716409474e-01 -1.716409474e-01 5.08 -1.669742522e-01 -1.669742522e-01 5.10 -1.624323402e-01 -1.624323402e-01 5.12 -1.580120020e-01 -1.580120020e-01 5.14 -1.537101032e-01 -1.537101032e-01 5.16 -1.495235832e-01 -1.495235832e-01 5.18 -1.454494536e-01 -1.454494536e-01 5.20 -1.414847975e-01 -1.414847975e-01 5.22 -1.376267675e-01 -1.376267675e-01 5.24 -1.338725848e-01 -1.338725848e-01 5.26 -1.302195377e-01 -1.302195377e-01 5.28 -1.266649803e-01 -1.266649803e-01 5.30 -1.232063315e-01 -1.232063315e-01 5.32 -1.198410731e-01 -1.198410731e-01 5.34 -1.165667492e-01 -1.165667492e-01 5.36 -1.133809644e-01 -1.133809644e-01 5.38 -1.102813828e-01 -1.102813828e-01 5.40 -1.072657265e-01 -1.072657265e-01 5.42 -1.043317748e-01 -1.043317748e-01 5.44 -1.014773625e-01 -1.014773625e-01 5.46 -7.941032872e-02 -7.941032872e-02 5.48 -7.730384323e-02 -7.730384323e-02 5.50 -7.525244147e-02 -7.525244147e-02 5.52 -7.325472587e-02 -7.325472587e-02 5.54 -7.130933200e-02 -7.130933200e-02 5.56 -6.941492785e-02 -6.941492785e-02 5.58 -6.757021326e-02 -6.757021326e-02 5.60 -6.577391924e-02 -6.577391924e-02 5.62 -6.402480731e-02 -6.402480731e-02 5.64 -6.232166892e-02 -6.232166892e-02 5.66 -6.066332479e-02 -6.066332479e-02 5.68 -5.904862433e-02 -5.904862433e-02 5.70 -5.747644497e-02 -5.747644497e-02 5.72 -5.594569163e-02 -5.594569163e-02 5.74 -5.445529609e-02 -5.445529609e-02 5.76 -5.300421638e-02 -5.300421638e-02 5.78 -5.159143628e-02 -5.159143628e-02 5.80 -5.021596466e-02 -5.021596466e-02 5.82 -4.887683500e-02 -4.887683500e-02 5.84 -4.757310479e-02 -4.757310479e-02 5.86 -4.630385501e-02 -4.630385501e-02 5.88 -4.506818959e-02 -4.506818959e-02 5.90 -4.386523489e-02 -4.386523489e-02 5.92 -4.269413918e-02 -4.269413918e-02 5.94 -4.155407215e-02 -4.155407215e-02 5.96 -4.044422440e-02 -4.044422440e-02 5.98 -3.936380695e-02 -3.936380695e-02 6.00 -3.831205078e-02 -3.831205078e-02