# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Cu # implementation = 2025--Sharifi-H--Cr-Ni-Cu--LAMMPS--ipr1 # composition = Cr2CuNi # 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 4.249474227e+02 4.249474227e+02 1.00 3.954750086e+02 3.954750086e+02 1.02 3.673937080e+02 3.673937080e+02 1.04 3.407675881e+02 3.407675881e+02 1.06 3.156364310e+02 3.156364310e+02 1.08 2.920160564e+02 2.920160564e+02 1.10 2.698838489e+02 2.698838489e+02 1.12 2.491595212e+02 2.491595212e+02 1.14 2.298403185e+02 2.298403185e+02 1.16 2.119046475e+02 2.119046475e+02 1.18 1.954521234e+02 1.954521234e+02 1.20 1.805062025e+02 1.805062025e+02 1.22 1.668687132e+02 1.668687132e+02 1.24 1.543742488e+02 1.543742488e+02 1.26 1.428853728e+02 1.428853728e+02 1.28 1.322876568e+02 1.322876568e+02 1.30 1.224855398e+02 1.224855398e+02 1.32 1.133988783e+02 1.133988783e+02 1.34 1.049600937e+02 1.049600937e+02 1.36 9.711183109e+01 9.711183109e+01 1.38 8.980501072e+01 8.980501072e+01 1.40 8.299723880e+01 8.299723880e+01 1.42 7.665152245e+01 7.665152245e+01 1.44 7.073523540e+01 7.073523540e+01 1.46 6.521928478e+01 6.521928478e+01 1.48 6.007744902e+01 6.007744902e+01 1.50 5.528585677e+01 5.528585677e+01 1.52 5.082257865e+01 5.082257865e+01 1.54 4.666730891e+01 4.666730891e+01 1.56 4.280110139e+01 4.280110139e+01 1.58 3.920618687e+01 3.920618687e+01 1.60 3.586577673e+01 3.586577673e+01 1.62 3.276389906e+01 3.276389906e+01 1.64 2.988533700e+01 2.988533700e+01 1.66 2.721559293e+01 2.721559293e+01 1.68 2.474087052e+01 2.474087052e+01 1.70 2.244806276e+01 2.244806276e+01 1.72 2.032474317e+01 2.032474317e+01 1.74 1.835915837e+01 1.835915837e+01 1.76 1.654022043e+01 1.654022043e+01 1.78 1.485750002e+01 1.485750002e+01 1.80 1.330123393e+01 1.330123393e+01 1.82 1.186228957e+01 1.186228957e+01 1.84 1.053213903e+01 1.053213903e+01 1.86 9.302840198e+00 9.302840198e+00 1.88 8.167012809e+00 8.167012809e+00 1.90 7.117818473e+00 7.117818473e+00 1.92 6.148937284e+00 6.148937284e+00 1.94 5.254541158e+00 5.254541158e+00 1.96 4.429268634e+00 4.429268634e+00 1.98 3.668202163e+00 3.668202163e+00 2.00 2.966934984e+00 2.966934984e+00 2.02 2.321507822e+00 2.321507822e+00 2.04 1.728226835e+00 1.728226835e+00 2.06 1.183634309e+00 1.183634309e+00 2.08 6.844872740e-01 6.844872740e-01 2.10 2.277434364e-01 2.277434364e-01 2.12 -1.894509900e-01 -1.894509900e-01 2.14 -5.697727154e-01 -5.697727154e-01 2.16 -9.157321051e-01 -9.157321051e-01 2.18 -1.229683811e+00 -1.229683811e+00 2.20 -1.513837910e+00 -1.513837910e+00 2.22 -1.770266538e+00 -1.770266538e+00 2.24 -2.000911546e+00 -2.000911546e+00 2.26 -2.207592445e+00 -2.207592445e+00 2.28 -2.392013853e+00 -2.392013853e+00 2.30 -2.555772488e+00 -2.555772488e+00 2.32 -2.700363736e+00 -2.700363736e+00 2.34 -2.827187820e+00 -2.827187820e+00 2.36 -2.937555590e+00 -2.937555590e+00 2.38 -3.032699762e+00 -3.032699762e+00 2.40 -3.113967320e+00 -3.113967320e+00 2.42 -3.182815636e+00 -3.182815636e+00 2.44 -3.240556240e+00 -3.240556240e+00 2.46 -3.288355488e+00 -3.288355488e+00 2.48 -3.327250489e+00 -3.327250489e+00 2.50 -3.358163838e+00 -3.358163838e+00 2.52 -3.381926471e+00 -3.381926471e+00 2.54 -3.399286594e+00 -3.399286594e+00 2.56 -3.410908275e+00 -3.410908275e+00 2.58 -3.417380549e+00 -3.417380549e+00 2.60 -3.419225999e+00 -3.419225999e+00 2.62 -3.416908421e+00 -3.416908421e+00 2.64 -3.410839648e+00 -3.410839648e+00 2.66 -3.401385628e+00 -3.401385628e+00 2.68 -3.388871823e+00 -3.388871823e+00 2.70 -3.373588014e+00 -3.373588014e+00 2.72 -3.355792562e+00 -3.355792562e+00 2.74 -3.335716179e+00 -3.335716179e+00 2.76 -3.313565280e+00 -3.313565280e+00 2.78 -3.289524937e+00 -3.289524937e+00 2.80 -3.263761490e+00 -3.263761490e+00 2.82 -3.236424852e+00 -3.236424852e+00 2.84 -3.207650538e+00 -3.207650538e+00 2.86 -3.177561451e+00 -3.177561451e+00 2.88 -3.146269443e+00 -3.146269443e+00 2.90 -3.113876693e+00 -3.113876693e+00 2.92 -3.080476905e+00 -3.080476905e+00 2.94 -3.046156357e+00 -3.046156357e+00 2.96 -3.010994813e+00 -3.010994813e+00 2.98 -2.975066321e+00 -2.975066321e+00 3.00 -2.938439897e+00 -2.938439897e+00 3.02 -2.901180126e+00 -2.901180126e+00 3.04 -2.863347672e+00 -2.863347672e+00 3.06 -2.824999724e+00 -2.824999724e+00 3.08 -2.786190377e+00 -2.786190377e+00 3.10 -2.746970956e+00 -2.746970956e+00 3.12 -2.707390291e+00 -2.707390291e+00 3.14 -2.667494959e+00 -2.667494959e+00 3.16 -2.627329478e+00 -2.627329478e+00 3.18 -2.586936483e+00 -2.586936483e+00 3.20 -2.546356859e+00 -2.546356859e+00 3.22 -2.505629869e+00 -2.505629869e+00 3.24 -2.464793247e+00 -2.464793247e+00 3.26 -2.423883284e+00 -2.423883284e+00 3.28 -2.382934896e+00 -2.382934896e+00 3.30 -2.341981683e+00 -2.341981683e+00 3.32 -2.301055971e+00 -2.301055971e+00 3.34 -2.260188855e+00 -2.260188855e+00 3.36 -2.219410233e+00 -2.219410233e+00 3.38 -2.178748827e+00 -2.178748827e+00 3.40 -2.138232211e+00 -2.138232211e+00 3.42 -2.097886829e+00 -2.097886829e+00 3.44 -2.057738011e+00 -2.057738011e+00 3.46 -2.017809989e+00 -2.017809989e+00 3.48 -1.978125912e+00 -1.978125912e+00 3.50 -1.938707856e+00 -1.938707856e+00 3.52 -1.899576842e+00 -1.899576842e+00 3.54 -1.860752844e+00 -1.860752844e+00 3.56 -1.822254804e+00 -1.822254804e+00 3.58 -1.784100647e+00 -1.784100647e+00 3.60 -1.746307292e+00 -1.746307292e+00 3.62 -1.708890670e+00 -1.708890670e+00 3.64 -1.671865737e+00 -1.671865737e+00 3.66 -1.635246491e+00 -1.635246491e+00 3.68 -1.599045991e+00 -1.599045991e+00 3.70 -1.563276372e+00 -1.563276372e+00 3.72 -1.527948867e+00 -1.527948867e+00 3.74 -1.493073823e+00 -1.493073823e+00 3.76 -1.458660726e+00 -1.458660726e+00 3.78 -1.424718217e+00 -1.424718217e+00 3.80 -1.391254120e+00 -1.391254120e+00 3.82 -1.358275458e+00 -1.358275458e+00 3.84 -1.325788479e+00 -1.325788479e+00 3.86 -1.293798680e+00 -1.293798680e+00 3.88 -1.262310829e+00 -1.262310829e+00 3.90 -1.231328988e+00 -1.231328988e+00 3.92 -1.200856543e+00 -1.200856543e+00 3.94 -1.170896221e+00 -1.170896221e+00 3.96 -1.141450117e+00 -1.141450117e+00 3.98 -1.112519723e+00 -1.112519723e+00 4.00 -1.084105946e+00 -1.084105946e+00 4.02 -1.056209136e+00 -1.056209136e+00 4.04 -1.028829109e+00 -1.028829109e+00 4.06 -1.001965173e+00 -1.001965173e+00 4.08 -9.756161484e-01 -9.756161484e-01 4.10 -9.497803956e-01 -9.497803956e-01 4.12 -9.244558355e-01 -9.244558355e-01 4.14 -8.996399732e-01 -8.996399732e-01 4.16 -8.753299205e-01 -8.753299205e-01 4.18 -8.515224180e-01 -8.515224180e-01 4.20 -8.282138566e-01 -8.282138566e-01 4.22 -8.054002987e-01 -8.054002987e-01 4.24 -7.830774988e-01 -7.830774988e-01 4.26 -7.610654170e-01 -7.610654170e-01 4.28 -7.358401658e-01 -7.358401658e-01 4.30 -6.976866402e-01 -6.976866402e-01 4.32 -6.425048880e-01 -6.425048880e-01 4.34 -6.131781827e-01 -6.131781827e-01 4.36 -5.957097229e-01 -5.957097229e-01 4.38 -5.786414025e-01 -5.786414025e-01 4.40 -5.619682287e-01 -5.619682287e-01 4.42 -5.456850638e-01 -5.456850638e-01 4.44 -5.297866380e-01 -5.297866380e-01 4.46 -5.142675626e-01 -5.142675626e-01 4.48 -4.991223424e-01 -4.991223424e-01 4.50 -4.843453870e-01 -4.843453870e-01 4.52 -4.699310231e-01 -4.699310231e-01 4.54 -4.558735044e-01 -4.558735044e-01 4.56 -4.421670229e-01 -4.421670229e-01 4.58 -4.288057186e-01 -4.288057186e-01 4.60 -4.157836891e-01 -4.157836891e-01 4.62 -4.030949986e-01 -4.030949986e-01 4.64 -3.907336867e-01 -3.907336867e-01 4.66 -3.786937769e-01 -3.786937769e-01 4.68 -3.669692840e-01 -3.669692840e-01 4.70 -3.555542218e-01 -3.555542218e-01 4.72 -3.444426101e-01 -3.444426101e-01 4.74 -3.336284813e-01 -3.336284813e-01 4.76 -3.231058866e-01 -3.231058866e-01 4.78 -3.128689022e-01 -3.128689022e-01 4.80 -3.029116343e-01 -3.029116343e-01 4.82 -2.932282249e-01 -2.932282249e-01 4.84 -2.838128562e-01 -2.838128562e-01 4.86 -2.746597552e-01 -2.746597552e-01 4.88 -2.657631981e-01 -2.657631981e-01 4.90 -2.571175140e-01 -2.571175140e-01 4.92 -2.479551972e-01 -2.479551972e-01 4.94 -2.288907864e-01 -2.288907864e-01 4.96 -1.782579554e-01 -1.782579554e-01 4.98 -8.178299407e-02 -8.178299407e-02 5.00 -8.353066944e-24 -8.369702915e-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 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