# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AuCoFe2 # 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 2024-04-11 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 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.139738920e+02 2.139738920e+02 1.30 1.959951361e+02 1.959951361e+02 1.32 1.794808465e+02 1.794808465e+02 1.34 1.643060275e+02 1.643060275e+02 1.36 1.503582874e+02 1.503582874e+02 1.38 1.375361176e+02 1.375361176e+02 1.40 1.257472614e+02 1.257472614e+02 1.42 1.149073451e+02 1.149073451e+02 1.44 1.049388739e+02 1.049388739e+02 1.46 9.577056048e+01 9.577056048e+01 1.48 8.733700758e+01 8.733700758e+01 1.50 7.957862064e+01 7.957862064e+01 1.52 7.244126017e+01 7.244126017e+01 1.54 6.587539229e+01 6.587539229e+01 1.56 5.983512278e+01 5.983512278e+01 1.58 5.427755972e+01 5.427755972e+01 1.60 4.916258265e+01 4.916258265e+01 1.62 4.445285971e+01 4.445285971e+01 1.64 4.011395960e+01 4.011395960e+01 1.66 3.612049134e+01 3.612049134e+01 1.68 3.245644659e+01 3.245644659e+01 1.70 2.909650089e+01 2.909650089e+01 1.72 2.601708931e+01 2.601708931e+01 1.74 2.319703255e+01 2.319703255e+01 1.76 2.061688724e+01 2.061688724e+01 1.78 1.825843378e+01 1.825843378e+01 1.80 1.610443296e+01 1.610443296e+01 1.82 1.413859600e+01 1.413859600e+01 1.84 1.234565213e+01 1.234565213e+01 1.86 1.071141648e+01 1.071141648e+01 1.88 9.222800646e+00 9.222800646e+00 1.90 7.867745344e+00 7.867745344e+00 1.92 6.635086314e+00 6.635086314e+00 1.94 5.514392247e+00 5.514392247e+00 1.96 4.495833210e+00 4.495833210e+00 1.98 3.570134600e+00 3.570134600e+00 2.00 2.728631245e+00 2.728631245e+00 2.02 1.963378730e+00 1.963378730e+00 2.04 1.267249916e+00 1.267249916e+00 2.06 6.339647124e-01 6.339647124e-01 2.08 5.804470021e-02 5.804470021e-02 2.10 -4.652851001e-01 -4.652851001e-01 2.12 -9.402175099e-01 -9.402175099e-01 2.14 -1.370482875e+00 -1.370482875e+00 2.16 -1.759450752e+00 -1.759450752e+00 2.18 -2.110205912e+00 -2.110205912e+00 2.20 -2.425599199e+00 -2.425599199e+00 2.22 -2.708279366e+00 -2.708279366e+00 2.24 -2.960713113e+00 -2.960713113e+00 2.26 -3.185198699e+00 -3.185198699e+00 2.28 -3.383876022e+00 -3.383876022e+00 2.30 -3.558734629e+00 -3.558734629e+00 2.32 -3.711620516e+00 -3.711620516e+00 2.34 -3.844242402e+00 -3.844242402e+00 2.36 -3.958178311e+00 -3.958178311e+00 2.38 -4.054883316e+00 -4.054883316e+00 2.40 -4.135699445e+00 -4.135699445e+00 2.42 -4.201913853e+00 -4.201913853e+00 2.44 -4.254666350e+00 -4.254666350e+00 2.46 -4.294976212e+00 -4.294976212e+00 2.48 -4.323825798e+00 -4.323825798e+00 2.50 -4.342177642e+00 -4.342177642e+00 2.52 -4.351058426e+00 -4.351058426e+00 2.54 -4.351303042e+00 -4.351303042e+00 2.56 -4.343673557e+00 -4.343673557e+00 2.58 -4.328868661e+00 -4.328868661e+00 2.60 -4.307568753e+00 -4.307568753e+00 2.62 -4.280445212e+00 -4.280445212e+00 2.64 -4.248131663e+00 -4.248131663e+00 2.66 -4.211191572e+00 -4.211191572e+00 2.68 -4.170107086e+00 -4.170107086e+00 2.70 -4.125276227e+00 -4.125276227e+00 2.72 -4.076788138e+00 -4.076788138e+00 2.74 -4.024515459e+00 -4.024515459e+00 2.76 -3.968392456e+00 -3.968392456e+00 2.78 -3.908424147e+00 -3.908424147e+00 2.80 -3.844684256e+00 -3.844684256e+00 2.82 -3.777312005e+00 -3.777312005e+00 2.84 -3.706506571e+00 -3.706506571e+00 2.86 -3.632518499e+00 -3.632518499e+00 2.88 -3.555638164e+00 -3.555638164e+00 2.90 -3.476182292e+00 -3.476182292e+00 2.92 -3.394480255e+00 -3.394480255e+00 2.94 -3.310862036e+00 -3.310862036e+00 2.96 -3.225649385e+00 -3.225649385e+00 2.98 -3.139150694e+00 -3.139150694e+00 3.00 -3.051658978e+00 -3.051658978e+00 3.02 -2.963451463e+00 -2.963451463e+00 3.04 -2.874789091e+00 -2.874789091e+00 3.06 -2.785914914e+00 -2.785914914e+00 3.08 -2.697051634e+00 -2.697051634e+00 3.10 -2.608399767e+00 -2.608399767e+00 3.12 -2.520138327e+00 -2.520138327e+00 3.14 -2.432429288e+00 -2.432429288e+00 3.16 -2.345425737e+00 -2.345425737e+00 3.18 -2.259282266e+00 -2.259282266e+00 3.20 -2.174165302e+00 -2.174165302e+00 3.22 -2.090261036e+00 -2.090261036e+00 3.24 -2.007779115e+00 -2.007779115e+00 3.26 -1.926951146e+00 -1.926951146e+00 3.28 -1.848024036e+00 -1.848024036e+00 3.30 -1.771249081e+00 -1.771249081e+00 3.32 -1.696868396e+00 -1.696868396e+00 3.34 -1.625100676e+00 -1.625100676e+00 3.36 -1.556128292e+00 -1.556128292e+00 3.38 -1.490087387e+00 -1.490087387e+00 3.40 -1.427062038e+00 -1.427062038e+00 3.42 -1.367082843e+00 -1.367082843e+00 3.44 -1.310129585e+00 -1.310129585e+00 3.46 -1.256137133e+00 -1.256137133e+00 3.48 -1.205003470e+00 -1.205003470e+00 3.50 -1.156598691e+00 -1.156598691e+00 3.52 -1.110773985e+00 -1.110773985e+00 3.54 -1.067369846e+00 -1.067369846e+00 3.56 -1.026223053e+00 -1.026223053e+00 3.58 -9.871722197e-01 -9.871722197e-01 3.60 -9.500619001e-01 -9.500619001e-01 3.62 -9.147453757e-01 -9.147453757e-01 3.64 -8.810863319e-01 -8.810863319e-01 3.66 -8.489596445e-01 -8.489596445e-01 3.68 -8.182514976e-01 -8.182514976e-01 3.70 -7.888590292e-01 -7.888590292e-01 3.72 -7.606896661e-01 -7.606896661e-01 3.74 -7.336602773e-01 -7.336602773e-01 3.76 -7.076962403e-01 -7.076962403e-01 3.78 -6.827304882e-01 -6.827304882e-01 3.80 -6.587025856e-01 -6.587025856e-01 3.82 -6.355578602e-01 -6.355578602e-01 3.84 -6.132466080e-01 -6.132466080e-01 3.86 -5.917233789e-01 -5.917233789e-01 3.88 -5.709463461e-01 -5.709463461e-01 3.90 -5.508767564e-01 -5.508767564e-01 3.92 -5.314784599e-01 -5.314784599e-01 3.94 -5.127175173e-01 -5.127175173e-01 3.96 -4.945618775e-01 -4.945618775e-01 3.98 -4.769811329e-01 -4.769811329e-01 4.00 -4.599463463e-01 -4.599463463e-01 4.02 -4.434299555e-01 -4.434299555e-01 4.04 -4.274057590e-01 -4.274057590e-01 4.06 -4.118489868e-01 -4.118489868e-01 4.08 -3.967364597e-01 -3.967364597e-01 4.10 -3.820468367e-01 -3.820468367e-01 4.12 -3.677609483e-01 -3.677609483e-01 4.14 -3.538621829e-01 -3.538621829e-01 4.16 -3.403369160e-01 -3.403369160e-01 4.18 -3.271749168e-01 -3.271749168e-01 4.20 -3.143696717e-01 -3.143696717e-01 4.22 -3.019185453e-01 -3.019185453e-01 4.24 -2.898226980e-01 -2.898226980e-01 4.26 -2.780866931e-01 -2.780866931e-01 4.28 -2.667177638e-01 -2.667177638e-01 4.30 -2.557247592e-01 -2.557247592e-01 4.32 -2.451168526e-01 -2.451168526e-01 4.34 -2.349021461e-01 -2.349021461e-01 4.36 -2.250862404e-01 -2.250862404e-01 4.38 -2.156711931e-01 -2.156711931e-01 4.40 -2.066550939e-01 -2.066550939e-01 4.42 -1.980313781e-01 -1.980313781e-01 4.44 -1.897888971e-01 -1.897888971e-01 4.46 -1.819123509e-01 -1.819123509e-01 4.48 -1.743828283e-01 -1.743828283e-01 4.50 -1.671788688e-01 -1.671788688e-01 4.52 -1.602772879e-01 -1.602772879e-01 4.54 -1.536537653e-01 -1.536537653e-01 4.56 -1.472835408e-01 -1.472835408e-01 4.58 -1.411419839e-01 -1.411419839e-01 4.60 -1.352050386e-01 -1.352050386e-01 4.62 -1.294495615e-01 -1.294495615e-01 4.64 -1.238535785e-01 -1.238535785e-01 4.66 -1.183964910e-01 -1.183964910e-01 4.68 -1.130592589e-01 -1.130592589e-01 4.70 -1.078245858e-01 -1.078245858e-01 4.72 -1.026771268e-01 -1.026771268e-01 4.74 -9.760372876e-02 -9.760372876e-02 4.76 -9.259371003e-02 -9.259371003e-02 4.78 -8.763917049e-02 -8.763917049e-02 4.80 -8.273531605e-02 -8.273531605e-02 4.82 -7.788077115e-02 -7.788077115e-02 4.84 -7.307783184e-02 -7.307783184e-02 4.86 -6.833262241e-02 -6.833262241e-02 4.88 -6.365509545e-02 -6.365509545e-02 4.90 -5.905883179e-02 -5.905883179e-02 4.92 -5.456060541e-02 -5.456060541e-02 4.94 -5.017970270e-02 -5.017970270e-02 4.96 -4.593701573e-02 -4.593701573e-02 4.98 -4.185396284e-02 -4.185396284e-02 5.00 -3.795132033e-02 -3.795132033e-02 5.02 -3.424806797e-02 -3.424806797e-02 5.04 -3.076035649e-02 -3.076035649e-02 5.06 -2.750068688e-02 -2.750068688e-02 5.08 -2.447736944e-02 -2.447736944e-02 5.10 -2.169429601e-02 -2.169429601e-02 5.12 -1.915100810e-02 -1.915100810e-02 5.14 -1.684302265e-02 -1.684302265e-02 5.16 -1.476182677e-02 -1.476182677e-02 5.18 -1.289652548e-02 -1.289652548e-02 5.20 -1.123456785e-02 -1.123456785e-02 5.22 -9.761725842e-03 -9.761725842e-03 5.24 -8.462798901e-03 -8.462798901e-03 5.26 -7.322219792e-03 -7.322219792e-03 5.28 -6.324547823e-03 -6.324547823e-03 5.30 -5.454848584e-03 -5.454848584e-03 5.32 -4.698968013e-03 -4.698968013e-03 5.34 -4.043713872e-03 -4.043713872e-03 5.36 -3.476960145e-03 -3.476960145e-03 5.38 -2.987690158e-03 -2.987690158e-03 5.40 -2.565993206e-03 -2.565993206e-03 5.42 -2.203027663e-03 -2.203027663e-03 5.44 -1.890961421e-03 -1.890961421e-03 5.46 -1.622898367e-03 -1.622898367e-03 5.48 -1.392797612e-03 -1.392797612e-03 5.50 -1.195390466e-03 -1.195390466e-03 5.52 -1.026098700e-03 -1.026098700e-03 5.54 -8.809564942e-04 -8.809564942e-04 5.56 -7.565375665e-04 -7.565375665e-04 5.58 -6.498883065e-04 -6.498883065e-04 5.60 -5.584672496e-04 -5.584672496e-04 5.62 -4.800908869e-04 -4.800908869e-04 5.64 -4.128855742e-04 -4.128855742e-04 5.66 -3.552451621e-04 -3.552451621e-04 5.68 -3.057938897e-04 -3.057938897e-04 5.70 -2.633540479e-04 -2.633540479e-04 5.72 -2.269179157e-04 -2.269179157e-04 5.74 -1.956234867e-04 -1.956234867e-04 5.76 -1.687335348e-04 -1.687335348e-04 5.78 -1.456176008e-04 -1.456176008e-04 5.80 -1.257365235e-04 -1.257365235e-04 5.82 -1.086291761e-04 -1.086291761e-04 5.84 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