# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr-Co # implementation = 2025--Sharifi-H--Cu-Cr-Co--LAMMPS--ipr1 # composition = CoCr2Cu # 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 2.176477418e+02 2.176477418e+02 1.00 2.019336406e+02 2.019336406e+02 1.02 1.870854102e+02 1.870854102e+02 1.04 1.731013755e+02 1.731013755e+02 1.06 1.599736721e+02 1.599736721e+02 1.08 1.476875864e+02 1.476875864e+02 1.10 1.362053234e+02 1.362053234e+02 1.12 1.254446202e+02 1.254446202e+02 1.14 1.154116863e+02 1.154116863e+02 1.16 1.061028486e+02 1.061028486e+02 1.18 9.749803535e+01 9.749803535e+01 1.20 8.956606002e+01 8.956606002e+01 1.22 8.226870081e+01 8.226870081e+01 1.24 7.556379768e+01 7.556379768e+01 1.26 6.940756497e+01 6.940756497e+01 1.28 6.375627959e+01 6.375627959e+01 1.30 5.856747173e+01 5.856747173e+01 1.32 5.380072819e+01 5.380072819e+01 1.34 4.941820140e+01 4.941820140e+01 1.36 4.538490459e+01 4.538490459e+01 1.38 4.166881059e+01 4.166881059e+01 1.40 3.824083158e+01 3.824083158e+01 1.42 3.507472139e+01 3.507472139e+01 1.44 3.214692256e+01 3.214692256e+01 1.46 2.943637425e+01 2.943637425e+01 1.48 2.692430279e+01 2.692430279e+01 1.50 2.459400725e+01 2.459400725e+01 1.52 2.243064777e+01 2.243064777e+01 1.54 2.042104050e+01 2.042104050e+01 1.56 1.855344662e+01 1.855344662e+01 1.58 1.681740781e+01 1.681740781e+01 1.60 1.520360464e+01 1.520360464e+01 1.62 1.370369871e+01 1.370369871e+01 1.64 1.231009959e+01 1.231009959e+01 1.66 1.101579246e+01 1.101579246e+01 1.68 9.814272678e+00 9.814272678e+00 1.70 8.699493358e+00 8.699493358e+00 1.72 7.665819962e+00 7.665819962e+00 1.74 6.707991735e+00 6.707991735e+00 1.76 5.821088871e+00 5.821088871e+00 1.78 5.000507209e+00 5.000507209e+00 1.80 4.241953524e+00 4.241953524e+00 1.82 3.541403763e+00 3.541403763e+00 1.84 2.895076110e+00 2.895076110e+00 1.86 2.299415809e+00 2.299415809e+00 1.88 1.751078951e+00 1.751078951e+00 1.90 1.246923385e+00 1.246923385e+00 1.92 7.839989555e-01 7.839989555e-01 1.94 3.595366030e-01 3.595366030e-01 1.96 -2.905977147e-02 -2.905977147e-02 1.98 -3.842209041e-01 -3.842209041e-01 2.00 -7.082193915e-01 -7.082193915e-01 2.02 -1.003227430e+00 -1.003227430e+00 2.04 -1.271472218e+00 -1.271472218e+00 2.06 -1.515046594e+00 -1.515046594e+00 2.08 -1.735864616e+00 -1.735864616e+00 2.10 -1.935679279e+00 -1.935679279e+00 2.12 -2.116097453e+00 -2.116097453e+00 2.14 -2.278593383e+00 -2.278593383e+00 2.16 -2.424520861e+00 -2.424520861e+00 2.18 -2.555124756e+00 -2.555124756e+00 2.20 -2.671552520e+00 -2.671552520e+00 2.22 -2.774861043e+00 -2.774861043e+00 2.24 -2.866024112e+00 -2.866024112e+00 2.26 -2.945939833e+00 -2.945939833e+00 2.28 -3.015437326e+00 -3.015437326e+00 2.30 -3.075282785e+00 -3.075282785e+00 2.32 -3.126184950e+00 -3.126184950e+00 2.34 -3.168800061e+00 -3.168800061e+00 2.36 -3.203736333e+00 -3.203736333e+00 2.38 -3.231558015e+00 -3.231558015e+00 2.40 -3.252789057e+00 -3.252789057e+00 2.42 -3.267916438e+00 -3.267916438e+00 2.44 -3.277393173e+00 -3.277393173e+00 2.46 -3.281641052e+00 -3.281641052e+00 2.48 -3.281053114e+00 -3.281053114e+00 2.50 -3.275996376e+00 -3.275996376e+00 2.52 -3.266823974e+00 -3.266823974e+00 2.54 -3.253874529e+00 -3.253874529e+00 2.56 -3.237462248e+00 -3.237462248e+00 2.58 -3.217878441e+00 -3.217878441e+00 2.60 -3.195393397e+00 -3.195393397e+00 2.62 -3.170258069e+00 -3.170258069e+00 2.64 -3.142705623e+00 -3.142705623e+00 2.66 -3.112952829e+00 -3.112952829e+00 2.68 -3.081201339e+00 -3.081201339e+00 2.70 -3.047638840e+00 -3.047638840e+00 2.72 -3.012440113e+00 -3.012440113e+00 2.74 -2.975767988e+00 -2.975767988e+00 2.76 -2.937774225e+00 -2.937774225e+00 2.78 -2.898600309e+00 -2.898600309e+00 2.80 -2.858378185e+00 -2.858378185e+00 2.82 -2.817230922e+00 -2.817230922e+00 2.84 -2.775273329e+00 -2.775273329e+00 2.86 -2.732612510e+00 -2.732612510e+00 2.88 -2.689348382e+00 -2.689348382e+00 2.90 -2.645574147e+00 -2.645574147e+00 2.92 -2.601376724e+00 -2.601376724e+00 2.94 -2.556837152e+00 -2.556837152e+00 2.96 -2.512030955e+00 -2.512030955e+00 2.98 -2.467028488e+00 -2.467028488e+00 3.00 -2.421895246e+00 -2.421895246e+00 3.02 -2.376692161e+00 -2.376692161e+00 3.04 -2.331475868e+00 -2.331475868e+00 3.06 -2.286298961e+00 -2.286298961e+00 3.08 -2.241210223e+00 -2.241210223e+00 3.10 -2.196254847e+00 -2.196254847e+00 3.12 -2.151474636e+00 -2.151474636e+00 3.14 -2.106908198e+00 -2.106908198e+00 3.16 -2.062591124e+00 -2.062591124e+00 3.18 -2.018556152e+00 -2.018556152e+00 3.20 -1.974833328e+00 -1.974833328e+00 3.22 -1.931450157e+00 -1.931450157e+00 3.24 -1.888431740e+00 -1.888431740e+00 3.26 -1.845800910e+00 -1.845800910e+00 3.28 -1.803578360e+00 -1.803578360e+00 3.30 -1.761782761e+00 -1.761782761e+00 3.32 -1.720430886e+00 -1.720430886e+00 3.34 -1.679537712e+00 -1.679537712e+00 3.36 -1.639116538e+00 -1.639116538e+00 3.38 -1.599179083e+00 -1.599179083e+00 3.40 -1.559735590e+00 -1.559735590e+00 3.42 -1.520794930e+00 -1.520794930e+00 3.44 -1.482364698e+00 -1.482364698e+00 3.46 -1.444451311e+00 -1.444451311e+00 3.48 -1.407060106e+00 -1.407060106e+00 3.50 -1.370195441e+00 -1.370195441e+00 3.52 -1.333860790e+00 -1.333860790e+00 3.54 -1.298058848e+00 -1.298058848e+00 3.56 -1.262791628e+00 -1.262791628e+00 3.58 -1.228060571e+00 -1.228060571e+00 3.60 -1.193866648e+00 -1.193866648e+00 3.62 -1.160210470e+00 -1.160210470e+00 3.64 -1.127092401e+00 -1.127092401e+00 3.66 -1.094512670e+00 -1.094512670e+00 3.68 -1.062471484e+00 -1.062471484e+00 3.70 -1.030969147e+00 -1.030969147e+00 3.72 -1.000006169e+00 -1.000006169e+00 3.74 -9.695833811e-01 -9.695833811e-01 3.76 -9.397020406e-01 -9.397020406e-01 3.78 -9.103639284e-01 -9.103639284e-01 3.80 -8.815714380e-01 -8.815714380e-01 3.82 -8.533276472e-01 -8.533276472e-01 3.84 -8.256363728e-01 -8.256363728e-01 3.86 -7.985022008e-01 -7.985022008e-01 3.88 -7.719304902e-01 -7.719304902e-01 3.90 -7.459273441e-01 -7.459273441e-01 3.92 -7.204995460e-01 -7.204995460e-01 3.94 -6.956544580e-01 -6.956544580e-01 3.96 -6.713998786e-01 -6.713998786e-01 3.98 -6.477438610e-01 -6.477438610e-01 4.00 -6.246944942e-01 -6.246944942e-01 4.02 -6.022596496e-01 -6.022596496e-01 4.04 -5.804467008e-01 -5.804467008e-01 4.06 -5.592622253e-01 -5.592622253e-01 4.08 -5.387116981e-01 -5.387116981e-01 4.10 -5.187991904e-01 -5.187991904e-01 4.12 -4.995270862e-01 -4.995270862e-01 4.14 -4.808958298e-01 -4.808958298e-01 4.16 -4.629037184e-01 -4.629037184e-01 4.18 -4.455467485e-01 -4.455467485e-01 4.20 -4.288185267e-01 -4.288185267e-01 4.22 -4.127102490e-01 -4.127102490e-01 4.24 -3.972107512e-01 -3.972107512e-01 4.26 -3.822779043e-01 -3.822779043e-01 4.28 -3.673266358e-01 -3.673266358e-01 4.30 -3.508606069e-01 -3.508606069e-01 4.32 -3.326623916e-01 -3.326623916e-01 4.34 -3.188007594e-01 -3.188007594e-01 4.36 -3.069426546e-01 -3.069426546e-01 4.38 -2.955535858e-01 -2.955535858e-01 4.40 -2.846122055e-01 -2.846122055e-01 4.42 -2.740972677e-01 -2.740972677e-01 4.44 -2.639878963e-01 -2.639878963e-01 4.46 -2.542638189e-01 -2.542638189e-01 4.48 -2.449055584e-01 -2.449055584e-01 4.50 -2.358945833e-01 -2.358945833e-01 4.52 -2.272134146e-01 -2.272134146e-01 4.54 -2.188456919e-01 -2.188456919e-01 4.56 -2.107762020e-01 -2.107762020e-01 4.58 -2.029908744e-01 -2.029908744e-01 4.60 -1.954767483e-01 -1.954767483e-01 4.62 -1.882219179e-01 -1.882219179e-01 4.64 -1.812154609e-01 -1.812154609e-01 4.66 -1.744473553e-01 -1.744473553e-01 4.68 -1.679083909e-01 -1.679083909e-01 4.70 -1.615900783e-01 -1.615900783e-01 4.72 -1.554845605e-01 -1.554845605e-01 4.74 -1.495845286e-01 -1.495845286e-01 4.76 -1.438831456e-01 -1.438831456e-01 4.78 -1.383739770e-01 -1.383739770e-01 4.80 -1.330509318e-01 -1.330509318e-01 4.82 -1.279082111e-01 -1.279082111e-01 4.84 -1.229402662e-01 -1.229402662e-01 4.86 -1.181417643e-01 -1.181417643e-01 4.88 -1.135075612e-01 -1.135075612e-01 4.90 -1.090326796e-01 -1.090326796e-01 4.92 -1.043865239e-01 -1.043865239e-01 4.94 -9.559260804e-02 -9.559260804e-02 4.96 -7.365992853e-02 -7.365992853e-02 4.98 -3.318568915e-02 -3.318568915e-02 5.00 -3.219825646e-24 -3.217153224e-24 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00