# 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 = Co2CrMn # 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 2.256341885e+02 2.256341885e+02 1.10 2.078238512e+02 2.078238512e+02 1.12 1.912291389e+02 1.912291389e+02 1.14 1.759191030e+02 1.759191030e+02 1.16 1.619882168e+02 1.619882168e+02 1.18 1.491042325e+02 1.491042325e+02 1.20 1.375453602e+02 1.375453602e+02 1.22 1.265928655e+02 1.265928655e+02 1.24 1.164250700e+02 1.164250700e+02 1.26 1.071906052e+02 1.071905966e+02 1.28 9.863252369e+01 9.863252369e+01 1.30 9.073824555e+01 9.073824555e+01 1.32 8.334424419e+01 8.334424419e+01 1.34 7.672788456e+01 7.672788456e+01 1.36 7.039904177e+01 7.039904177e+01 1.38 6.457084955e+01 6.457084955e+01 1.40 5.916814714e+01 5.916814714e+01 1.42 5.417523478e+01 5.417523478e+01 1.44 4.976231777e+01 4.976231777e+01 1.46 4.562282576e+01 4.562282576e+01 1.48 4.163945244e+01 4.163945244e+01 1.50 3.795705842e+01 3.795705842e+01 1.52 3.462585123e+01 3.462585123e+01 1.54 3.161210018e+01 3.161210018e+01 1.56 2.867946052e+01 2.867946052e+01 1.58 2.599353150e+01 2.599353150e+01 1.60 2.348560700e+01 2.348560700e+01 1.62 2.116796898e+01 2.116796898e+01 1.64 1.902649359e+01 1.902649359e+01 1.66 1.711855044e+01 1.711855044e+01 1.68 1.535420857e+01 1.535420857e+01 1.70 1.365383115e+01 1.365383115e+01 1.72 1.208463858e+01 1.208463858e+01 1.74 1.070790992e+01 1.070790992e+01 1.76 9.366298699e+00 9.366298699e+00 1.78 8.129919623e+00 8.129919623e+00 1.80 6.991141108e+00 6.991141108e+00 1.82 6.037503059e+00 6.037503059e+00 1.84 5.064635461e+00 5.064635461e+00 1.86 4.311671395e+00 4.311671395e+00 1.88 3.477846049e+00 3.477846049e+00 1.90 2.712915858e+00 2.712915858e+00 1.92 2.011887535e+00 2.011887535e+00 1.94 1.406425220e+00 1.406425220e+00 1.96 8.165112436e-01 8.165112436e-01 1.98 2.778504147e-01 2.778504147e-01 2.00 -2.132836644e-01 -2.132836644e-01 2.02 -6.603515459e-01 -6.603515459e-01 2.04 -1.066567769e+00 -1.066567769e+00 2.06 -1.434919091e+00 -1.434919091e+00 2.08 -1.768181267e+00 -1.768181267e+00 2.10 -2.005293745e+00 -2.005293540e+00 2.12 -2.246344741e+00 -2.246344741e+00 2.14 -2.496519221e+00 -2.496519221e+00 2.16 -2.720301651e+00 -2.720301651e+00 2.18 -2.919667906e+00 -2.919667906e+00 2.20 -3.096455662e+00 -3.096455662e+00 2.22 -3.252374202e+00 -3.252374202e+00 2.24 -3.316388529e+00 -3.316388529e+00 2.26 -3.440682071e+00 -3.440682071e+00 2.28 -3.548143003e+00 -3.548143003e+00 2.30 -3.640081673e+00 -3.640081673e+00 2.32 -3.717716937e+00 -3.717716937e+00 2.34 -3.782182504e+00 -3.782182504e+00 2.36 -3.834532832e+00 -3.834532832e+00 2.38 -3.875748587e+00 -3.875748587e+00 2.40 -3.906741728e+00 -3.906741728e+00 2.42 -3.928360214e+00 -3.928360214e+00 2.44 -3.865226652e+00 -3.865226652e+00 2.46 -3.875641015e+00 -3.875641015e+00 2.48 -3.878524279e+00 -3.878524279e+00 2.50 -3.874533644e+00 -3.874533644e+00 2.52 -3.792582445e+00 -3.792582445e+00 2.54 -3.781444146e+00 -3.781444146e+00 2.56 -3.764814540e+00 -3.764814540e+00 2.58 -3.743203928e+00 -3.743203928e+00 2.60 -3.717086003e+00 -3.717086003e+00 2.62 -3.686900313e+00 -3.686900313e+00 2.64 -3.653054570e+00 -3.653054570e+00 2.66 -3.615926788e+00 -3.615926788e+00 2.68 -3.575867292e+00 -3.575867292e+00 2.70 -3.533200580e+00 -3.533200580e+00 2.72 -3.488227069e+00 -3.488227069e+00 2.74 -3.422869014e+00 -3.422869014e+00 2.76 -3.375228391e+00 -3.375228391e+00 2.78 -3.325983691e+00 -3.325983691e+00 2.80 -3.275358486e+00 -3.275358486e+00 2.82 -3.223559123e+00 -3.223559123e+00 2.84 -3.170775904e+00 -3.170775904e+00 2.86 -3.117184164e+00 -3.117184164e+00 2.88 -3.062945301e+00 -3.062945301e+00 2.90 -3.008207724e+00 -3.008207724e+00 2.92 -2.953107740e+00 -2.953107740e+00 2.94 -2.897770392e+00 -2.897770392e+00 2.96 -2.842310228e+00 -2.842310228e+00 2.98 -2.786832030e+00 -2.786832030e+00 3.00 -2.731431491e+00 -2.731431491e+00 3.02 -2.676195849e+00 -2.676195849e+00 3.04 -2.621204479e+00 -2.621204479e+00 3.06 -2.566529441e+00 -2.566529441e+00 3.08 -2.512236004e+00 -2.512236004e+00 3.10 -2.458383122e+00 -2.458383122e+00 3.12 -2.405023886e+00 -2.405023886e+00 3.14 -2.352205950e+00 -2.352205950e+00 3.16 -2.275272187e+00 -2.275272187e+00 3.18 -2.224985737e+00 -2.224985737e+00 3.20 -2.175283792e+00 -2.175283792e+00 3.22 -2.126199684e+00 -2.126199684e+00 3.24 -2.077762834e+00 -2.077762834e+00 3.26 -2.029999031e+00 -2.029999031e+00 3.28 -1.982930714e+00 -1.982930714e+00 3.30 -1.862583956e+00 -1.862583956e+00 3.32 -1.820770813e+00 -1.820770813e+00 3.34 -1.779507377e+00 -1.779507377e+00 3.36 -1.738814974e+00 -1.738814974e+00 3.38 -1.698712180e+00 -1.698712180e+00 3.40 -1.659215022e+00 -1.659215022e+00 3.42 -1.620337169e+00 -1.620337169e+00 3.44 -1.582090113e+00 -1.582090113e+00 3.46 -1.544483329e+00 -1.544483329e+00 3.48 -1.507524436e+00 -1.507524436e+00 3.50 -1.471219341e+00 -1.471219341e+00 3.52 -1.435572371e+00 -1.435572371e+00 3.54 -1.400586404e+00 -1.400586404e+00 3.56 -1.366262987e+00 -1.366262987e+00 3.58 -1.332602443e+00 -1.332602443e+00 3.60 -1.299603979e+00 -1.299603979e+00 3.62 -1.267265778e+00 -1.267265778e+00 3.64 -1.235585091e+00 -1.235585091e+00 3.66 -1.204558318e+00 -1.204558318e+00 3.68 -1.174181091e+00 -1.174181091e+00 3.70 -1.144448342e+00 -1.144448342e+00 3.72 -1.115354372e+00 -1.115354372e+00 3.74 -1.086892913e+00 -1.086892913e+00 3.76 -1.059057188e+00 -1.059057188e+00 3.78 -1.031839965e+00 -1.031839965e+00 3.80 -1.005233607e+00 -1.005233607e+00 3.82 -9.792301185e-01 -9.792301185e-01 3.84 -9.538211899e-01 -9.538211899e-01 3.86 -8.910295122e-01 -8.910295122e-01 3.88 -8.684568242e-01 -8.684568242e-01 3.90 -8.463788081e-01 -8.463788081e-01 3.92 -8.247894721e-01 -8.247894721e-01 3.94 -8.036825462e-01 -8.036825462e-01 3.96 -7.830515149e-01 -7.830515149e-01 3.98 -7.628896481e-01 -7.628896481e-01 4.00 -7.431900296e-01 -7.431900296e-01 4.02 -7.239455833e-01 -7.239455833e-01 4.04 -7.051490977e-01 -7.051490977e-01 4.06 -6.867932485e-01 -6.867932485e-01 4.08 -6.688706200e-01 -6.688706200e-01 4.10 -6.513737236e-01 -6.513737236e-01 4.12 -6.342950164e-01 -6.342950164e-01 4.14 -6.176269174e-01 -6.176269174e-01 4.16 -6.013618228e-01 -6.013618228e-01 4.18 -5.854921196e-01 -5.854921196e-01 4.20 -5.700101988e-01 -5.700101988e-01 4.22 -5.549084670e-01 -5.549084670e-01 4.24 -5.401793571e-01 -5.401793571e-01 4.26 -5.258153381e-01 -5.258153381e-01 4.28 -5.118089242e-01 -5.118089242e-01 4.30 -4.981526829e-01 -4.981526829e-01 4.32 -4.848392419e-01 -4.848392419e-01 4.34 -4.718612966e-01 -4.718612966e-01 4.36 -4.592116156e-01 -4.592116156e-01 4.38 -4.468830458e-01 -4.468830458e-01 4.40 -4.348685181e-01 -4.348685181e-01 4.42 -4.231610508e-01 -4.231610508e-01 4.44 -4.117537539e-01 -4.117537539e-01 4.46 -4.006398324e-01 -4.006398324e-01 4.48 -3.898125890e-01 -3.898125890e-01 4.50 -3.792654269e-01 -3.792654269e-01 4.52 -3.689918514e-01 -3.689918514e-01 4.54 -3.589854727e-01 -3.589854727e-01 4.56 -3.492400062e-01 -3.492400062e-01 4.58 -3.397492746e-01 -3.397492746e-01 4.60 -3.305072085e-01 -3.305072085e-01 4.62 -3.215078471e-01 -3.215078471e-01 4.64 -3.127453385e-01 -3.127453385e-01 4.66 -3.042139403e-01 -3.042139403e-01 4.68 -2.959080194e-01 -2.959080194e-01 4.70 -2.878220518e-01 -2.878220518e-01 4.72 -2.799506226e-01 -2.799506226e-01 4.74 -2.722884254e-01 -2.722884254e-01 4.76 -2.648302617e-01 -2.648302617e-01 4.78 -2.575710401e-01 -2.575710401e-01 4.80 -2.505057758e-01 -2.505057758e-01 4.82 -2.436295894e-01 -2.436295894e-01 4.84 -2.369377061e-01 -2.369377061e-01 4.86 -2.304254545e-01 -2.304254545e-01 4.88 -2.240882654e-01 -2.240882654e-01 4.90 -2.179216707e-01 -2.179216707e-01 4.92 -2.119213021e-01 -2.119213021e-01 4.94 -2.060828895e-01 -2.060828895e-01 4.96 -2.004022602e-01 -2.004022602e-01 4.98 -1.948753368e-01 -1.948753368e-01 5.00 -1.894981363e-01 -1.894981363e-01 5.02 -1.842667681e-01 -1.842667681e-01 5.04 -1.791774330e-01 -1.791774330e-01 5.06 -1.742264214e-01 -1.742264214e-01 5.08 -1.694101118e-01 -1.694101118e-01 5.10 -1.647249691e-01 -1.647249691e-01 5.12 -1.601675435e-01 -1.601675435e-01 5.14 -1.557344684e-01 -1.557344684e-01 5.16 -1.514224589e-01 -1.514224589e-01 5.18 -1.472283107e-01 -1.472283107e-01 5.20 -1.431488981e-01 -1.431488981e-01 5.22 -1.391811723e-01 -1.391811723e-01 5.24 -1.353221604e-01 -1.353221604e-01 5.26 -1.315689634e-01 -1.315689634e-01 5.28 -1.279187548e-01 -1.279187548e-01 5.30 -1.243687791e-01 -1.243687791e-01 5.32 -1.209163504e-01 -1.209163504e-01 5.34 -1.175588504e-01 -1.175588504e-01 5.36 -1.142937278e-01 -1.142937278e-01 5.38 -1.111184959e-01 -1.111184959e-01 5.40 -1.080307318e-01 -1.080307318e-01 5.42 -1.050280747e-01 -1.050280747e-01 5.44 -1.021082247e-01 -1.021082247e-01 5.46 -8.034822110e-02 -8.034822110e-02 5.48 -7.818041136e-02 -7.818041136e-02 5.50 -7.607033926e-02 -7.607033926e-02 5.52 -7.401650804e-02 -7.401650804e-02 5.54 -7.201745749e-02 -7.201745749e-02 5.56 -7.007176313e-02 -7.007176313e-02 5.58 -6.817803554e-02 -6.817803554e-02 5.60 -6.633491952e-02 -6.633491952e-02 5.62 -6.454109345e-02 -6.454109345e-02 5.64 -6.279526846e-02 -6.279526846e-02 5.66 -6.109618780e-02 -6.109618780e-02 5.68 -5.944262609e-02 -5.944262609e-02 5.70 -5.783338862e-02 -5.783338862e-02 5.72 -5.626731069e-02 -5.626731069e-02 5.74 -5.474325691e-02 -5.474325691e-02 5.76 -5.326012053e-02 -5.326012053e-02 5.78 -5.181682281e-02 -5.181682281e-02 5.80 -5.041231235e-02 -5.041231235e-02 5.82 -4.904556449e-02 -4.904556449e-02 5.84 -4.771558064e-02 -4.771558064e-02 5.86 -4.642138773e-02 -4.642138773e-02 5.88 -4.516203755e-02 -4.516203755e-02 5.90 -4.393660620e-02 -4.393660620e-02 5.92 -4.274419351e-02 -4.274419351e-02 5.94 -4.158392246e-02 -4.158392246e-02 5.96 -4.045493863e-02 -4.045493863e-02 5.98 -3.935640967e-02 -3.935640967e-02 6.00 -3.828752472e-02 -3.828752472e-02