# 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 = AlCrFe2 # 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 2.343547741e+02 2.343547741e+02 1.10 2.164467340e+02 2.164467340e+02 1.12 1.996157908e+02 1.996157908e+02 1.14 1.840271749e+02 1.840271749e+02 1.16 1.699012052e+02 1.699012052e+02 1.18 1.567864726e+02 1.567864726e+02 1.20 1.451548021e+02 1.451548021e+02 1.22 1.339631805e+02 1.339631805e+02 1.24 1.235135469e+02 1.235135469e+02 1.26 1.140784039e+02 1.140783251e+02 1.28 1.053039279e+02 1.053039279e+02 1.30 9.720496879e+01 9.720496879e+01 1.32 8.954328354e+01 8.954328354e+01 1.34 8.277982958e+01 8.277982958e+01 1.36 7.618918478e+01 7.618918478e+01 1.38 7.011917361e+01 7.011917361e+01 1.40 6.447155027e+01 6.447155027e+01 1.42 5.924213995e+01 5.924213995e+01 1.44 5.471516965e+01 5.471516965e+01 1.46 5.043695971e+01 5.043695971e+01 1.48 4.622234655e+01 4.622234655e+01 1.50 4.231749837e+01 4.231749837e+01 1.52 3.881002898e+01 3.881002898e+01 1.54 3.566629566e+01 3.566629566e+01 1.56 3.252531867e+01 3.252531867e+01 1.58 2.965465577e+01 2.965465577e+01 1.60 2.695347212e+01 2.695347212e+01 1.62 2.445034367e+01 2.445034367e+01 1.64 2.213083835e+01 2.213083835e+01 1.66 2.008857903e+01 2.008857903e+01 1.68 1.819643866e+01 1.819643866e+01 1.70 1.633273248e+01 1.633273248e+01 1.72 1.460708684e+01 1.460708684e+01 1.74 1.312470420e+01 1.312470420e+01 1.76 1.163628100e+01 1.163628100e+01 1.78 1.025943916e+01 1.025943916e+01 1.80 8.986300022e+00 8.986300022e+00 1.82 7.952679331e+00 7.952679331e+00 1.84 6.853264497e+00 6.853264497e+00 1.86 6.058557163e+00 6.058557163e+00 1.88 5.103537222e+00 5.103537222e+00 1.90 4.223081613e+00 4.223081613e+00 1.92 3.411963120e+00 3.411963120e+00 1.94 2.724135846e+00 2.724135846e+00 1.96 2.032823194e+00 2.032823194e+00 1.98 1.397653308e+00 1.397653308e+00 2.00 8.146970787e-01 8.146970787e-01 2.02 2.802995977e-01 2.802995977e-01 2.04 -2.089400947e-01 -2.089400947e-01 2.06 -6.561876309e-01 -6.561876309e-01 2.08 -1.064390456e+00 -1.064390456e+00 2.10 -1.337493868e+00 -1.337491978e+00 2.12 -1.628887791e+00 -1.628887791e+00 2.14 -1.946495340e+00 -1.946495340e+00 2.16 -2.234164230e+00 -2.234164230e+00 2.18 -2.494023229e+00 -2.494023229e+00 2.20 -2.728056824e+00 -2.728056824e+00 2.22 -2.938115284e+00 -2.938115284e+00 2.24 -3.008255172e+00 -3.008255172e+00 2.26 -3.183517482e+00 -3.183517482e+00 2.28 -3.339083333e+00 -3.339083333e+00 2.30 -3.476390669e+00 -3.476390669e+00 2.32 -3.596780865e+00 -3.596780865e+00 2.34 -3.701505271e+00 -3.701505271e+00 2.36 -3.791731282e+00 -3.791731282e+00 2.38 -3.868547981e+00 -3.868547981e+00 2.40 -3.932971387e+00 -3.932971387e+00 2.42 -3.985949333e+00 -3.985949333e+00 2.44 -3.913186173e+00 -3.913186173e+00 2.46 -3.953337355e+00 -3.953337355e+00 2.48 -3.984039181e+00 -3.984039181e+00 2.50 -4.006039866e+00 -4.006039866e+00 2.52 -3.908287008e+00 -3.908287008e+00 2.54 -3.921933474e+00 -3.921933474e+00 2.56 -3.928397225e+00 -3.928397225e+00 2.58 -3.928271060e+00 -3.928271060e+00 2.60 -3.922107710e+00 -3.922107710e+00 2.62 -3.910422428e+00 -3.910422428e+00 2.64 -3.893695420e+00 -3.893695420e+00 2.66 -3.872374104e+00 -3.872374104e+00 2.68 -3.846875231e+00 -3.846875231e+00 2.70 -3.817586864e+00 -3.817586864e+00 2.72 -3.784870233e+00 -3.784870233e+00 2.74 -3.719349352e+00 -3.719349352e+00 2.76 -3.682440699e+00 -3.682440699e+00 2.78 -3.642948326e+00 -3.642948326e+00 2.80 -3.601147683e+00 -3.601147683e+00 2.82 -3.557294703e+00 -3.557294703e+00 2.84 -3.511627063e+00 -3.511627063e+00 2.86 -3.464365361e+00 -3.464365361e+00 2.88 -3.415714214e+00 -3.415714214e+00 2.90 -3.365863302e+00 -3.365863302e+00 2.92 -3.314988323e+00 -3.314988323e+00 2.94 -3.263251909e+00 -3.263251909e+00 2.96 -3.210804471e+00 -3.210804471e+00 2.98 -3.157784994e+00 -3.157784994e+00 3.00 -3.104321785e+00 -3.104321785e+00 3.02 -3.050533169e+00 -3.050533169e+00 3.04 -2.996528145e+00 -2.996528145e+00 3.06 -2.942406999e+00 -2.942406999e+00 3.08 -2.888261878e+00 -2.888261878e+00 3.10 -2.834177330e+00 -2.834177330e+00 3.12 -2.780230807e+00 -2.780230807e+00 3.14 -2.726493140e+00 -2.726493140e+00 3.16 -2.635617390e+00 -2.635617390e+00 3.18 -2.584379631e+00 -2.584379631e+00 3.20 -2.533432396e+00 -2.533432396e+00 3.22 -2.482828945e+00 -2.482828945e+00 3.24 -2.432617642e+00 -2.432617642e+00 3.26 -2.382842279e+00 -2.382842279e+00 3.28 -2.333542396e+00 -2.333542396e+00 3.30 -2.169673933e+00 -2.169673933e+00 3.32 -2.126955476e+00 -2.126955476e+00 3.34 -2.084543918e+00 -2.084543918e+00 3.36 -2.042477043e+00 -2.042477043e+00 3.38 -2.000789079e+00 -2.000789079e+00 3.40 -1.959510940e+00 -1.959510940e+00 3.42 -1.918670443e+00 -1.918670443e+00 3.44 -1.878292522e+00 -1.878292522e+00 3.46 -1.838399419e+00 -1.838399419e+00 3.48 -1.799010872e+00 -1.799010872e+00 3.50 -1.760144287e+00 -1.760144287e+00 3.52 -1.721814900e+00 -1.721814900e+00 3.54 -1.684035928e+00 -1.684035928e+00 3.56 -1.646818715e+00 -1.646818715e+00 3.58 -1.610172865e+00 -1.610172865e+00 3.60 -1.574106367e+00 -1.574106367e+00 3.62 -1.538625715e+00 -1.538625715e+00 3.64 -1.503736019e+00 -1.503736019e+00 3.66 -1.469441106e+00 -1.469441106e+00 3.68 -1.435743623e+00 -1.435743623e+00 3.70 -1.402645121e+00 -1.402645121e+00 3.72 -1.370146147e+00 -1.370146147e+00 3.74 -1.338246321e+00 -1.338246321e+00 3.76 -1.306944413e+00 -1.306944413e+00 3.78 -1.276238409e+00 -1.276238409e+00 3.80 -1.246125585e+00 -1.246125585e+00 3.82 -1.216602557e+00 -1.216602557e+00 3.84 -1.187665351e+00 -1.187665351e+00 3.86 -1.098029793e+00 -1.098029793e+00 3.88 -1.072720384e+00 -1.072720384e+00 3.90 -1.047882325e+00 -1.047882325e+00 3.92 -1.023513734e+00 -1.023513734e+00 3.94 -9.996122138e-01 -9.996122138e-01 3.96 -9.761748958e-01 -9.761748958e-01 3.98 -9.531984794e-01 -9.531984794e-01 4.00 -9.306792715e-01 -9.306792715e-01 4.02 -9.086132224e-01 -9.086132224e-01 4.04 -8.869959595e-01 -8.869959595e-01 4.06 -8.658228188e-01 -8.658228188e-01 4.08 -8.450888742e-01 -8.450888742e-01 4.10 -8.247889653e-01 -8.247889653e-01 4.12 -8.049177231e-01 -8.049177231e-01 4.14 -7.854695934e-01 -7.854695934e-01 4.16 -7.664388601e-01 -7.664388601e-01 4.18 -7.478196650e-01 -7.478196650e-01 4.20 -7.296060280e-01 -7.296060280e-01 4.22 -7.117918647e-01 -7.117918647e-01 4.24 -6.943710033e-01 -6.943710033e-01 4.26 -6.773372003e-01 -6.773372003e-01 4.28 -6.606841545e-01 -6.606841545e-01 4.30 -6.444055210e-01 -6.444055210e-01 4.32 -6.284949234e-01 -6.284949234e-01 4.34 -6.129459651e-01 -6.129459651e-01 4.36 -5.977522401e-01 -5.977522401e-01 4.38 -5.829073427e-01 -5.829073427e-01 4.40 -5.684048766e-01 -5.684048766e-01 4.42 -5.542384633e-01 -5.542384633e-01 4.44 -5.404017494e-01 -5.404017494e-01 4.46 -5.268884140e-01 -5.268884140e-01 4.48 -5.136921748e-01 -5.136921748e-01 4.50 -5.008067941e-01 -5.008067941e-01 4.52 -4.882260840e-01 -4.882260840e-01 4.54 -4.759439113e-01 -4.759439113e-01 4.56 -4.639542021e-01 -4.639542021e-01 4.58 -4.522509453e-01 -4.522509453e-01 4.60 -4.408281965e-01 -4.408281965e-01 4.62 -4.296800811e-01 -4.296800811e-01 4.64 -4.188007970e-01 -4.188007970e-01 4.66 -4.081846172e-01 -4.081846172e-01 4.68 -3.978258922e-01 -3.978258922e-01 4.70 -3.877190517e-01 -3.877190517e-01 4.72 -3.778586061e-01 -3.778586061e-01 4.74 -3.682391484e-01 -3.682391484e-01 4.76 -3.588553548e-01 -3.588553548e-01 4.78 -3.497019863e-01 -3.497019863e-01 4.80 -3.407738890e-01 -3.407738890e-01 4.82 -3.320659949e-01 -3.320659949e-01 4.84 -3.235733222e-01 -3.235733222e-01 4.86 -3.152909759e-01 -3.152909759e-01 4.88 -3.072141474e-01 -3.072141474e-01 4.90 -2.993381152e-01 -2.993381152e-01 4.92 -2.916582439e-01 -2.916582439e-01 4.94 -2.841699849e-01 -2.841699849e-01 4.96 -2.768688754e-01 -2.768688754e-01 4.98 -2.697505380e-01 -2.697505380e-01 5.00 -2.628106807e-01 -2.628106807e-01 5.02 -2.560450958e-01 -2.560450958e-01 5.04 -2.494496592e-01 -2.494496592e-01 5.06 -2.430203301e-01 -2.430203301e-01 5.08 -2.367531498e-01 -2.367531498e-01 5.10 -2.306442410e-01 -2.306442410e-01 5.12 -2.246898070e-01 -2.246898070e-01 5.14 -2.188861304e-01 -2.188861304e-01 5.16 -2.132295727e-01 -2.132295727e-01 5.18 -2.077165726e-01 -2.077165726e-01 5.20 -2.023436455e-01 -2.023436455e-01 5.22 -1.971073823e-01 -1.971073823e-01 5.24 -1.920044480e-01 -1.920044480e-01 5.26 -1.870315809e-01 -1.870315809e-01 5.28 -1.821855916e-01 -1.821855916e-01 5.30 -1.774633614e-01 -1.774633614e-01 5.32 -1.728618415e-01 -1.728618415e-01 5.34 -1.683780517e-01 -1.683780517e-01 5.36 -1.640090792e-01 -1.640090792e-01 5.38 -1.597520777e-01 -1.597520777e-01 5.40 -1.556042658e-01 -1.556042658e-01 5.42 -1.515629260e-01 -1.515629260e-01 5.44 -1.476254039e-01 -1.476254039e-01 5.46 -1.151660722e-01 -1.151660722e-01 5.48 -1.122741141e-01 -1.122741141e-01 5.50 -1.094535292e-01 -1.094535292e-01 5.52 -1.067026239e-01 -1.067026239e-01 5.54 -1.040197411e-01 -1.040197411e-01 5.56 -1.014032596e-01 -1.014032596e-01 5.58 -9.885159385e-02 -9.885159385e-02 5.60 -9.636319267e-02 -9.636319267e-02 5.62 -9.393653929e-02 -9.393653929e-02 5.64 -9.157015047e-02 -9.157015047e-02 5.66 -8.926257596e-02 -8.926257596e-02 5.68 -8.701239792e-02 -8.701239792e-02 5.70 -8.481823032e-02 -8.481823032e-02 5.72 -8.267871836e-02 -8.267871836e-02 5.74 -8.059253789e-02 -8.059253789e-02 5.76 -7.855839485e-02 -7.855839485e-02 5.78 -7.657502465e-02 -7.657502465e-02 5.80 -7.464119164e-02 -7.464119164e-02 5.82 -7.275568855e-02 -7.275568855e-02 5.84 -7.091733590e-02 -7.091733590e-02 5.86 -6.912498147e-02 -6.912498147e-02 5.88 -6.737749974e-02 -6.737749974e-02 5.90 -6.567379137e-02 -6.567379137e-02 5.92 -6.401278264e-02 -6.401278264e-02 5.94 -6.239342495e-02 -6.239342495e-02 5.96 -6.081469425e-02 -6.081469425e-02 5.98 -5.927559062e-02 -5.927559062e-02 6.00 -5.777513764e-02 -5.777513764e-02