# 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 = AuFePb2 # 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 3.846735360e+02 3.846735360e+02 1.30 3.579783371e+02 3.579783371e+02 1.32 3.332119606e+02 3.332119606e+02 1.34 3.102246951e+02 3.102246951e+02 1.36 2.888765899e+02 2.888765899e+02 1.38 2.690373759e+02 2.690373759e+02 1.40 2.505869851e+02 2.505869851e+02 1.42 2.334158213e+02 2.334158213e+02 1.44 2.174245338e+02 2.174245338e+02 1.46 2.025233966e+02 2.025233966e+02 1.48 1.886313309e+02 1.886313309e+02 1.50 1.756745978e+02 1.756745978e+02 1.52 1.635853911e+02 1.635853911e+02 1.54 1.523007779e+02 1.523007779e+02 1.56 1.417621346e+02 1.417621346e+02 1.58 1.319150159e+02 1.319150159e+02 1.60 1.227092405e+02 1.227092405e+02 1.62 1.140990394e+02 1.140990394e+02 1.64 1.060430595e+02 1.060430595e+02 1.66 9.850416022e+01 9.850416022e+01 1.68 9.144895257e+01 9.144895257e+01 1.70 8.484901149e+01 8.484901149e+01 1.72 7.868710125e+01 7.868710125e+01 1.74 7.294192299e+01 7.294192299e+01 1.76 6.759807051e+01 6.759807051e+01 1.78 6.262872922e+01 6.262872922e+01 1.80 5.800753185e+01 5.800753185e+01 1.82 5.370927301e+01 5.370927301e+01 1.84 4.971012257e+01 4.971012257e+01 1.86 4.598783290e+01 4.598783290e+01 1.88 4.252186956e+01 4.252186956e+01 1.90 3.929339994e+01 3.929339994e+01 1.92 3.628517477e+01 3.628517477e+01 1.94 3.348138619e+01 3.348138619e+01 1.96 3.086752975e+01 3.086752975e+01 1.98 2.843028439e+01 2.843028439e+01 2.00 2.615739220e+01 2.615739220e+01 2.02 2.403754181e+01 2.403754181e+01 2.04 2.206026670e+01 2.206026670e+01 2.06 2.021587592e+01 2.021587592e+01 2.08 1.849541671e+01 1.849541671e+01 2.10 1.689064156e+01 1.689064156e+01 2.12 1.539397209e+01 1.539397209e+01 2.14 1.399843892e+01 1.399843892e+01 2.16 1.269760737e+01 1.269760737e+01 2.18 1.148550071e+01 1.148550071e+01 2.20 1.035652843e+01 1.035652843e+01 2.22 9.305436736e+00 9.305436736e+00 2.24 8.327276861e+00 8.327276861e+00 2.26 7.417388968e+00 7.417388968e+00 2.28 6.571396094e+00 6.571396094e+00 2.30 5.785194631e+00 5.785194631e+00 2.32 5.054943385e+00 5.054943385e+00 2.34 4.377052496e+00 4.377052496e+00 2.36 3.748161217e+00 3.748161217e+00 2.38 3.165118024e+00 3.165118024e+00 2.40 2.624960793e+00 2.624960793e+00 2.42 2.124901363e+00 2.124901363e+00 2.44 1.662314796e+00 1.662314796e+00 2.46 1.234734738e+00 1.234734738e+00 2.48 8.398510493e-01 8.398510493e-01 2.50 4.755074403e-01 4.755074403e-01 2.52 1.396967407e-01 1.396967407e-01 2.54 -1.694471455e-01 -1.694471455e-01 2.56 -4.536602904e-01 -4.536602904e-01 2.58 -7.145615851e-01 -7.145615851e-01 2.60 -9.536656227e-01 -9.536656227e-01 2.62 -1.172393063e+00 -1.172393063e+00 2.64 -1.372081802e+00 -1.372081802e+00 2.66 -1.553986612e+00 -1.553986612e+00 2.68 -1.719284947e+00 -1.719284947e+00 2.70 -1.869137915e+00 -1.869137915e+00 2.72 -2.004568675e+00 -2.004568675e+00 2.74 -2.126448404e+00 -2.126448404e+00 2.76 -2.235601641e+00 -2.235601641e+00 2.78 -2.332802020e+00 -2.332802020e+00 2.80 -2.418783298e+00 -2.418783298e+00 2.82 -2.494244932e+00 -2.494244932e+00 2.84 -2.559857993e+00 -2.559857993e+00 2.86 -2.616263429e+00 -2.616263429e+00 2.88 -2.664073000e+00 -2.664073000e+00 2.90 -2.703877361e+00 -2.703877361e+00 2.92 -2.736245374e+00 -2.736245374e+00 2.94 -2.761682156e+00 -2.761682156e+00 2.96 -2.780612081e+00 -2.780612081e+00 2.98 -2.793449273e+00 -2.793449273e+00 3.00 -2.800602113e+00 -2.800602113e+00 3.02 -2.802471197e+00 -2.802471197e+00 3.04 -2.799446819e+00 -2.799446819e+00 3.06 -2.791909704e+00 -2.791909704e+00 3.08 -2.780224280e+00 -2.780224280e+00 3.10 -2.764739591e+00 -2.764739591e+00 3.12 -2.745785812e+00 -2.745785812e+00 3.14 -2.723722965e+00 -2.723722965e+00 3.16 -2.698879823e+00 -2.698879823e+00 3.18 -2.671434379e+00 -2.671434379e+00 3.20 -2.641570076e+00 -2.641570076e+00 3.22 -2.609479052e+00 -2.609479052e+00 3.24 -2.575360281e+00 -2.575360281e+00 3.26 -2.539417489e+00 -2.539417489e+00 3.28 -2.501851469e+00 -2.501851469e+00 3.30 -2.462834387e+00 -2.462834387e+00 3.32 -2.422533878e+00 -2.422533878e+00 3.34 -2.381124632e+00 -2.381124632e+00 3.36 -2.338784383e+00 -2.338784383e+00 3.38 -2.295689691e+00 -2.295689691e+00 3.40 -2.252011281e+00 -2.252011281e+00 3.42 -2.207911402e+00 -2.207911402e+00 3.44 -2.163538284e+00 -2.163538284e+00 3.46 -2.119025321e+00 -2.119025321e+00 3.48 -2.074489407e+00 -2.074489407e+00 3.50 -2.030030772e+00 -2.030030772e+00 3.52 -1.985733758e+00 -1.985733758e+00 3.54 -1.941668323e+00 -1.941668323e+00 3.56 -1.897892062e+00 -1.897892062e+00 3.58 -1.854452514e+00 -1.854452514e+00 3.60 -1.811389597e+00 -1.811389597e+00 3.62 -1.768737990e+00 -1.768737990e+00 3.64 -1.726529318e+00 -1.726529318e+00 3.66 -1.684793991e+00 -1.684793991e+00 3.68 -1.643562558e+00 -1.643562558e+00 3.70 -1.602866437e+00 -1.602866437e+00 3.72 -1.562737983e+00 -1.562737983e+00 3.74 -1.523209871e+00 -1.523209871e+00 3.76 -1.484313943e+00 -1.484313943e+00 3.78 -1.446079729e+00 -1.446079729e+00 3.80 -1.408532920e+00 -1.408532920e+00 3.82 -1.371694093e+00 -1.371694093e+00 3.84 -1.335577881e+00 -1.335577881e+00 3.86 -1.300192724e+00 -1.300192724e+00 3.88 -1.265541153e+00 -1.265541153e+00 3.90 -1.231620509e+00 -1.231620509e+00 3.92 -1.198423116e+00 -1.198423116e+00 3.94 -1.165940703e+00 -1.165940703e+00 3.96 -1.134160104e+00 -1.134160104e+00 3.98 -1.103067833e+00 -1.103067833e+00 4.00 -1.072649749e+00 -1.072649749e+00 4.02 -1.042891541e+00 -1.042891541e+00 4.04 -1.013779043e+00 -1.013779043e+00 4.06 -9.852984606e-01 -9.852984606e-01 4.08 -9.574365267e-01 -9.574365267e-01 4.10 -9.301784573e-01 -9.301784573e-01 4.12 -9.035172566e-01 -9.035172566e-01 4.14 -8.774395028e-01 -8.774395028e-01 4.16 -8.519356549e-01 -8.519356549e-01 4.18 -8.269975946e-01 -8.269975946e-01 4.20 -8.026188266e-01 -8.026188266e-01 4.22 -7.787946231e-01 -7.787946231e-01 4.24 -7.555220733e-01 -7.555220733e-01 4.26 -7.327999979e-01 -7.327999979e-01 4.28 -7.106287012e-01 -7.106287012e-01 4.30 -6.890095530e-01 -6.890095530e-01 4.32 -6.679444186e-01 -6.679444186e-01 4.34 -6.474349806e-01 -6.474349806e-01 4.36 -6.274820208e-01 -6.274820208e-01 4.38 -6.080847397e-01 -6.080847397e-01 4.40 -5.892401905e-01 -5.892401905e-01 4.42 -5.709428858e-01 -5.709428858e-01 4.44 -5.531846109e-01 -5.531846109e-01 4.46 -5.359544442e-01 -5.359544442e-01 4.48 -5.192389596e-01 -5.192389596e-01 4.50 -5.030225654e-01 -5.030225654e-01 4.52 -4.872879278e-01 -4.872879278e-01 4.54 -4.720164265e-01 -4.720164265e-01 4.56 -4.571886001e-01 -4.571886001e-01 4.58 -4.427845535e-01 -4.427845535e-01 4.60 -4.287843096e-01 -4.287843096e-01 4.62 -4.151681024e-01 -4.151681024e-01 4.64 -4.019166171e-01 -4.019166171e-01 4.66 -3.890111857e-01 -3.890111857e-01 4.68 -3.764339528e-01 -3.764339528e-01 4.70 -3.641680239e-01 -3.641680239e-01 4.72 -3.521976071e-01 -3.521976071e-01 4.74 -3.405081581e-01 -3.405081581e-01 4.76 -3.290865296e-01 -3.290865296e-01 4.78 -3.179211286e-01 -3.179211286e-01 4.80 -3.070005555e-01 -3.070005555e-01 4.82 -2.963200611e-01 -2.963200611e-01 4.84 -2.858718053e-01 -2.858718053e-01 4.86 -2.756518117e-01 -2.756518117e-01 4.88 -2.656581810e-01 -2.656581810e-01 4.90 -2.558910282e-01 -2.558910282e-01 4.92 -2.463523243e-01 -2.463523243e-01 4.94 -2.370456369e-01 -2.370456369e-01 4.96 -2.279757721e-01 -2.279757721e-01 4.98 -2.191483363e-01 -2.191483363e-01 5.00 -2.105692441e-01 -2.105692441e-01 5.02 -2.022442125e-01 -2.022442125e-01 5.04 -1.941782838e-01 -1.941782838e-01 5.06 -1.863754191e-01 -1.863754191e-01 5.08 -1.788382003e-01 -1.788382003e-01 5.10 -1.715676545e-01 -1.715676545e-01 5.12 -1.645632172e-01 -1.645632172e-01 5.14 -1.578228211e-01 -1.578228211e-01 5.16 -1.513430817e-01 -1.513430817e-01 5.18 -1.451195492e-01 -1.451195492e-01 5.20 -1.391469853e-01 -1.391469853e-01 5.22 -1.334196256e-01 -1.334196256e-01 5.24 -1.279314056e-01 -1.279314056e-01 5.26 -1.226761233e-01 -1.226761233e-01 5.28 -1.176475322e-01 -1.176475322e-01 5.30 -1.128393641e-01 -1.128393641e-01 5.32 -1.082451114e-01 -1.082451114e-01 5.34 -1.038575649e-01 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-3.653304498e-02 -3.653304498e-02 5.88 -3.482174839e-02 -3.482174839e-02 5.90 -3.313427604e-02 -3.313427604e-02 5.92 -3.147031832e-02 -3.147031832e-02 5.94 -2.983021916e-02 -2.983021916e-02 5.96 -2.821496676e-02 -2.821496676e-02 5.98 -2.662616823e-02 -2.662616823e-02 6.00 -2.506600773e-02 -2.506600773e-02