# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Al # implementation = 2025--Sharifi-H--Cr-Co-Al--LAMMPS--ipr1 # composition = AlCo2Cr # 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 4.039600566e+02 4.039600566e+02 1.00 3.662322339e+02 3.662322339e+02 1.02 3.315560733e+02 3.315560733e+02 1.04 2.998508207e+02 2.998508207e+02 1.06 2.709855492e+02 2.709855492e+02 1.08 2.447972922e+02 2.447972922e+02 1.10 2.211046165e+02 2.211046165e+02 1.12 1.997176555e+02 1.997176555e+02 1.14 1.804454025e+02 1.804454025e+02 1.16 1.631008907e+02 1.631008907e+02 1.18 1.475047532e+02 1.475047532e+02 1.20 1.334875503e+02 1.334875503e+02 1.22 1.208911649e+02 1.208911649e+02 1.24 1.095695048e+02 1.095695048e+02 1.26 9.938869536e+01 9.938869536e+01 1.28 9.022690447e+01 9.022690447e+01 1.30 8.197391345e+01 8.197391345e+01 1.32 7.453051573e+01 7.453051573e+01 1.34 6.780780948e+01 6.780780948e+01 1.36 6.172643293e+01 6.172643293e+01 1.38 5.621577691e+01 5.621577691e+01 1.40 5.121320259e+01 5.121320259e+01 1.42 4.666328249e+01 4.666328249e+01 1.44 4.251707630e+01 4.251707630e+01 1.46 3.873144517e+01 3.873144517e+01 1.48 3.526842126e+01 3.526842126e+01 1.50 3.209463738e+01 3.209463738e+01 1.52 2.918079865e+01 2.918079865e+01 1.54 2.650120300e+01 2.650120300e+01 1.56 2.403330958e+01 2.403330958e+01 1.58 2.175735271e+01 2.175735271e+01 1.60 1.965599771e+01 1.965599771e+01 1.62 1.771402169e+01 1.771402169e+01 1.64 1.591794006e+01 1.591794006e+01 1.66 1.425571179e+01 1.425571179e+01 1.68 1.271656177e+01 1.271656177e+01 1.70 1.129083105e+01 1.129083105e+01 1.72 9.969846170e+00 9.969846170e+00 1.74 8.745805185e+00 8.745805185e+00 1.76 7.611676003e+00 7.611676003e+00 1.78 6.561072326e+00 6.561072326e+00 1.80 5.588119434e+00 5.588119434e+00 1.82 4.687394335e+00 4.687394335e+00 1.84 3.853887274e+00 3.853887274e+00 1.86 3.082967249e+00 3.082967249e+00 1.88 2.370350908e+00 2.370350908e+00 1.90 1.712074536e+00 1.712074536e+00 1.92 1.104468677e+00 1.104468677e+00 1.94 5.441351222e-01 5.441351222e-01 1.96 2.792600731e-02 2.792600731e-02 1.98 -4.470759265e-01 -4.470759265e-01 2.00 -8.835843466e-01 -8.835843466e-01 2.02 -1.284186534e+00 -1.284186534e+00 2.04 -1.651497718e+00 -1.651497718e+00 2.06 -1.987918393e+00 -1.987918393e+00 2.08 -2.295628801e+00 -2.295628801e+00 2.10 -2.576641686e+00 -2.576641686e+00 2.12 -2.832817141e+00 -2.832817141e+00 2.14 -3.065875792e+00 -3.065875792e+00 2.16 -3.277410751e+00 -3.277410751e+00 2.18 -3.468898240e+00 -3.468898240e+00 2.20 -3.641706042e+00 -3.641706042e+00 2.22 -3.797103565e+00 -3.797103565e+00 2.24 -3.936270801e+00 -3.936270801e+00 2.26 -4.060305597e+00 -4.060305597e+00 2.28 -4.170230788e+00 -4.170230788e+00 2.30 -4.267001593e+00 -4.267001593e+00 2.32 -4.351509156e+00 -4.351509156e+00 2.34 -4.424584984e+00 -4.424584984e+00 2.36 -4.487005534e+00 -4.487005534e+00 2.38 -4.539496381e+00 -4.539496381e+00 2.40 -4.582736030e+00 -4.582736030e+00 2.42 -4.617359393e+00 -4.617359393e+00 2.44 -4.643960959e+00 -4.643960959e+00 2.46 -4.663097700e+00 -4.663097700e+00 2.48 -4.675291730e+00 -4.675291730e+00 2.50 -4.681032733e+00 -4.681032733e+00 2.52 -4.680780197e+00 -4.680780197e+00 2.54 -4.674965461e+00 -4.674965461e+00 2.56 -4.663993598e+00 -4.663993598e+00 2.58 -4.648247881e+00 -4.648247881e+00 2.60 -4.628109705e+00 -4.628109705e+00 2.62 -4.603945194e+00 -4.603945194e+00 2.64 -4.576095369e+00 -4.576095369e+00 2.66 -4.544877856e+00 -4.544877856e+00 2.68 -4.510588518e+00 -4.510588518e+00 2.70 -4.473502979e+00 -4.473502979e+00 2.72 -4.433878014e+00 -4.433878014e+00 2.74 -4.391952838e+00 -4.391952838e+00 2.76 -4.347950299e+00 -4.347950299e+00 2.78 -4.302077974e+00 -4.302077974e+00 2.80 -4.254529191e+00 -4.254529191e+00 2.82 -4.205483968e+00 -4.205483968e+00 2.84 -4.155109884e+00 -4.155109884e+00 2.86 -4.103562894e+00 -4.103562894e+00 2.88 -4.050988071e+00 -4.050988071e+00 2.90 -3.997520312e+00 -3.997520312e+00 2.92 -3.943284979e+00 -3.943284979e+00 2.94 -3.888398507e+00 -3.888398507e+00 2.96 -3.832968959e+00 -3.832968959e+00 2.98 -3.777096556e+00 -3.777096556e+00 3.00 -3.720874156e+00 -3.720874156e+00 3.02 -3.664387437e+00 -3.664387437e+00 3.04 -3.607712381e+00 -3.607712381e+00 3.06 -3.550920982e+00 -3.550920982e+00 3.08 -3.494095207e+00 -3.494095207e+00 3.10 -3.437288401e+00 -3.437288401e+00 3.12 -3.380557617e+00 -3.380557617e+00 3.14 -3.323955339e+00 -3.323955339e+00 3.16 -3.267529583e+00 -3.267529583e+00 3.18 -3.211324156e+00 -3.211324156e+00 3.20 -3.155378904e+00 -3.155378904e+00 3.22 -3.099729943e+00 -3.099729943e+00 3.24 -3.044409874e+00 -3.044409874e+00 3.26 -2.989447988e+00 -2.989447988e+00 3.28 -2.934870452e+00 -2.934870452e+00 3.30 -2.880700494e+00 -2.880700494e+00 3.32 -2.826958564e+00 -2.826958564e+00 3.34 -2.773662494e+00 -2.773662494e+00 3.36 -2.720827647e+00 -2.720827647e+00 3.38 -2.668467053e+00 -2.668467053e+00 3.40 -2.616591544e+00 -2.616591544e+00 3.42 -2.565209876e+00 -2.565209876e+00 3.44 -2.514328845e+00 -2.514328845e+00 3.46 -2.463953401e+00 -2.463953401e+00 3.48 -2.414086748e+00 -2.414086748e+00 3.50 -2.364730449e+00 -2.364730449e+00 3.52 -2.315884523e+00 -2.315884523e+00 3.54 -2.267547531e+00 -2.267547531e+00 3.56 -2.219716672e+00 -2.219716672e+00 3.58 -2.172387867e+00 -2.172387867e+00 3.60 -2.125555847e+00 -2.125555847e+00 3.62 -2.079214235e+00 -2.079214235e+00 3.64 -2.033355637e+00 -2.033355637e+00 3.66 -1.987971723e+00 -1.987971723e+00 3.68 -1.943053320e+00 -1.943053320e+00 3.70 -1.898590503e+00 -1.898590503e+00 3.72 -1.854572694e+00 -1.854572694e+00 3.74 -1.810988766e+00 -1.810988766e+00 3.76 -1.767827147e+00 -1.767827147e+00 3.78 -1.725075947e+00 -1.725075947e+00 3.80 -1.682723083e+00 -1.682723083e+00 3.82 -1.640756415e+00 -1.640756415e+00 3.84 -1.599163902e+00 -1.599163902e+00 3.86 -1.557933761e+00 -1.557933761e+00 3.88 -1.517054645e+00 -1.517054645e+00 3.90 -1.476515837e+00 -1.476515837e+00 3.92 -1.436307445e+00 -1.436307445e+00 3.94 -1.396420626e+00 -1.396420626e+00 3.96 -1.356847810e+00 -1.356847810e+00 3.98 -1.317582935e+00 -1.317582935e+00 4.00 -1.278621698e+00 -1.278621698e+00 4.02 -1.239961797e+00 -1.239961797e+00 4.04 -1.201603181e+00 -1.201603181e+00 4.06 -1.163548294e+00 -1.163548294e+00 4.08 -1.125802301e+00 -1.125802301e+00 4.10 -1.088373304e+00 -1.088373304e+00 4.12 -1.051272525e+00 -1.051272525e+00 4.14 -1.014514452e+00 -1.014514452e+00 4.16 -9.781169479e-01 -9.781169479e-01 4.18 -9.421012950e-01 -9.421012950e-01 4.20 -9.064921852e-01 -9.064921852e-01 4.22 -8.713176314e-01 -8.713176314e-01 4.24 -8.366088018e-01 -8.366088018e-01 4.26 -8.021002187e-01 -8.021002187e-01 4.28 -7.617738175e-01 -7.617738175e-01 4.30 -6.982659201e-01 -6.982659201e-01 4.32 -6.014562803e-01 -6.014562803e-01 4.34 -5.519148352e-01 -5.519148352e-01 4.36 -5.255223813e-01 -5.255223813e-01 4.38 -4.999414589e-01 -4.999414589e-01 4.40 -4.751916168e-01 -4.751916168e-01 4.42 -4.512882203e-01 -4.512882203e-01 4.44 -4.282421804e-01 -4.282421804e-01 4.46 -4.060597737e-01 -4.060597737e-01 4.48 -3.847425559e-01 -3.847425559e-01 4.50 -3.642873725e-01 -3.642873725e-01 4.52 -3.446864634e-01 -3.446864634e-01 4.54 -3.259276560e-01 -3.259276560e-01 4.56 -3.079946413e-01 -3.079946413e-01 4.58 -2.908673199e-01 -2.908673199e-01 4.60 -2.745222077e-01 -2.745222077e-01 4.62 -2.589328880e-01 -2.589328880e-01 4.64 -2.440704946e-01 -2.440704946e-01 4.66 -2.299042130e-01 -2.299042130e-01 4.68 -2.164017862e-01 -2.164017862e-01 4.70 -2.035300108e-01 -2.035300108e-01 4.72 -1.912552133e-01 -1.912552133e-01 4.74 -1.795436963e-01 -1.795436963e-01 4.76 -1.683621460e-01 -1.683621460e-01 4.78 -1.576779948e-01 -1.576779948e-01 4.80 -1.474597347e-01 -1.474597347e-01 4.82 -1.376771786e-01 -1.376771786e-01 4.84 -1.283016695e-01 -1.283016695e-01 4.86 -1.193062367e-01 -1.193062367e-01 4.88 -1.106657027e-01 -1.106657027e-01 4.90 -1.023567433e-01 -1.023567433e-01 4.92 -9.413689985e-02 -9.413689985e-02 4.94 -8.347899698e-02 -8.347899698e-02 4.96 -6.502896720e-02 -6.502896720e-02 4.98 -3.362531283e-02 -3.362531283e-02 5.00 -1.969934484e-22 -2.040377874e-22 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 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