# 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 = Al2AuZr # 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 2.158566910e+02 2.158566910e+02 1.30 2.011910586e+02 2.011910586e+02 1.32 1.875541767e+02 1.875541767e+02 1.34 1.748668042e+02 1.748668042e+02 1.36 1.630572027e+02 1.630572027e+02 1.38 1.520589484e+02 1.520589484e+02 1.40 1.418096657e+02 1.418096657e+02 1.42 1.322510604e+02 1.322510604e+02 1.44 1.233294138e+02 1.233294138e+02 1.46 1.149961212e+02 1.149961212e+02 1.48 1.072079736e+02 1.072079736e+02 1.50 9.992684283e+01 9.992684283e+01 1.52 9.311865937e+01 9.311865937e+01 1.54 8.675220592e+01 8.675220592e+01 1.56 8.079802738e+01 8.079802738e+01 1.58 7.522783676e+01 7.522783676e+01 1.60 7.001449430e+01 7.001449430e+01 1.62 6.513242586e+01 6.513242586e+01 1.64 6.055810565e+01 6.055810565e+01 1.66 5.627026927e+01 5.627026927e+01 1.68 5.224972257e+01 5.224972257e+01 1.70 4.847878324e+01 4.847878324e+01 1.72 4.494077607e+01 4.494077607e+01 1.74 4.161980667e+01 4.161980667e+01 1.76 3.850090318e+01 3.850090318e+01 1.78 3.557058071e+01 3.557058071e+01 1.80 3.281894981e+01 3.281894981e+01 1.82 3.024225332e+01 3.024225332e+01 1.84 2.782933894e+01 2.782933894e+01 1.86 2.556963893e+01 2.556963893e+01 1.88 2.345576584e+01 2.345576584e+01 1.90 2.147895688e+01 2.147895688e+01 1.92 1.963020032e+01 1.963020032e+01 1.94 1.790115950e+01 1.790115950e+01 1.96 1.628420277e+01 1.628420277e+01 1.98 1.477240975e+01 1.477240975e+01 2.00 1.335952190e+01 1.335952190e+01 2.02 1.203982437e+01 1.203982437e+01 2.04 1.080799641e+01 1.080799641e+01 2.06 9.658970882e+00 9.658970882e+00 2.08 8.587841115e+00 8.587841115e+00 2.10 7.589802783e+00 7.589802783e+00 2.12 6.660161490e+00 6.660161490e+00 2.14 5.794362976e+00 5.794362976e+00 2.16 4.988045723e+00 4.988045723e+00 2.18 4.237084482e+00 4.237084482e+00 2.20 3.537627082e+00 3.537627082e+00 2.22 2.886101832e+00 2.886101832e+00 2.24 2.279220832e+00 2.279220832e+00 2.26 1.713979074e+00 1.713979074e+00 2.28 1.187659990e+00 1.187659990e+00 2.30 6.978244085e-01 6.978244085e-01 2.32 2.422961780e-01 2.422961780e-01 2.34 -1.808593866e-01 -1.808593866e-01 2.36 -5.733787271e-01 -5.733787271e-01 2.38 -9.368386470e-01 -9.368386470e-01 2.40 -1.272695692e+00 -1.272695692e+00 2.42 -1.582327420e+00 -1.582327420e+00 2.44 -1.867063271e+00 -1.867063271e+00 2.46 -2.128218516e+00 -2.128218516e+00 2.48 -2.367114818e+00 -2.367114818e+00 2.50 -2.585089341e+00 -2.585089341e+00 2.52 -2.783491065e+00 -2.783491065e+00 2.54 -2.963686968e+00 -2.963686968e+00 2.56 -3.127063884e+00 -3.127063884e+00 2.58 -3.274863188e+00 -3.274863188e+00 2.60 -3.408294543e+00 -3.408294543e+00 2.62 -3.528536749e+00 -3.528536749e+00 2.64 -3.636722260e+00 -3.636722260e+00 2.66 -3.733902575e+00 -3.733902575e+00 2.68 -3.821027858e+00 -3.821027858e+00 2.70 -3.898899615e+00 -3.898899615e+00 2.72 -3.968079322e+00 -3.968079322e+00 2.74 -4.029029705e+00 -4.029029705e+00 2.76 -4.082166429e+00 -4.082166429e+00 2.78 -4.127863841e+00 -4.127863841e+00 2.80 -4.166469456e+00 -4.166469456e+00 2.82 -4.198299072e+00 -4.198299072e+00 2.84 -4.223650133e+00 -4.223650133e+00 2.86 -4.242804262e+00 -4.242804262e+00 2.88 -4.256031947e+00 -4.256031947e+00 2.90 -4.263606501e+00 -4.263606501e+00 2.92 -4.265843988e+00 -4.265843988e+00 2.94 -4.262979618e+00 -4.262979618e+00 2.96 -4.255251604e+00 -4.255251604e+00 2.98 -4.242938042e+00 -4.242938042e+00 3.00 -4.227291729e+00 -4.227291729e+00 3.02 -4.208886208e+00 -4.208886208e+00 3.04 -4.187638166e+00 -4.187638166e+00 3.06 -4.163547148e+00 -4.163547148e+00 3.08 -4.136672303e+00 -4.136672303e+00 3.10 -4.107121985e+00 -4.107121985e+00 3.12 -4.075030507e+00 -4.075030507e+00 3.14 -4.040551314e+00 -4.040551314e+00 3.16 -4.003836972e+00 -4.003836972e+00 3.18 -3.965048228e+00 -3.965048228e+00 3.20 -3.924350105e+00 -3.924350105e+00 3.22 -3.881892327e+00 -3.881892327e+00 3.24 -3.837811424e+00 -3.837811424e+00 3.26 -3.792235556e+00 -3.792235556e+00 3.28 -3.745289287e+00 -3.745289287e+00 3.30 -3.697096992e+00 -3.697096992e+00 3.32 -3.647784046e+00 -3.647784046e+00 3.34 -3.597475645e+00 -3.597475645e+00 3.36 -3.546293963e+00 -3.546293963e+00 3.38 -3.494354879e+00 -3.494354879e+00 3.40 -3.441764582e+00 -3.441764582e+00 3.42 -3.388622649e+00 -3.388622649e+00 3.44 -3.335016476e+00 -3.335016476e+00 3.46 -3.281027594e+00 -3.281027594e+00 3.48 -3.226732636e+00 -3.226732636e+00 3.50 -3.172205213e+00 -3.172205213e+00 3.52 -3.117517086e+00 -3.117517086e+00 3.54 -3.062738546e+00 -3.062738546e+00 3.56 -3.007938111e+00 -3.007938111e+00 3.58 -2.953181760e+00 -2.953181760e+00 3.60 -2.898531933e+00 -2.898531933e+00 3.62 -2.844046504e+00 -2.844046504e+00 3.64 -2.789777896e+00 -2.789777896e+00 3.66 -2.735772450e+00 -2.735772450e+00 3.68 -2.682070126e+00 -2.682070126e+00 3.70 -2.628704587e+00 -2.628704587e+00 3.72 -2.575703700e+00 -2.575703700e+00 3.74 -2.523090434e+00 -2.523090434e+00 3.76 -2.470884100e+00 -2.470884100e+00 3.78 -2.419101818e+00 -2.419101818e+00 3.80 -2.367760009e+00 -2.367760009e+00 3.82 -2.316875657e+00 -2.316875657e+00 3.84 -2.266467060e+00 -2.266467060e+00 3.86 -2.216553837e+00 -2.216553837e+00 3.88 -2.167156085e+00 -2.167156085e+00 3.90 -2.118292804e+00 -2.118292804e+00 3.92 -2.069978636e+00 -2.069978636e+00 3.94 -2.022227083e+00 -2.022227083e+00 3.96 -1.975040749e+00 -1.975040749e+00 3.98 -1.928416454e+00 -1.928416454e+00 4.00 -1.882343905e+00 -1.882343905e+00 4.02 -1.836806783e+00 -1.836806783e+00 4.04 -1.791784422e+00 -1.791784422e+00 4.06 -1.747253832e+00 -1.747253832e+00 4.08 -1.703191825e+00 -1.703191825e+00 4.10 -1.659573215e+00 -1.659573215e+00 4.12 -1.616389037e+00 -1.616389037e+00 4.14 -1.573622820e+00 -1.573622820e+00 4.16 -1.531270349e+00 -1.531270349e+00 4.18 -1.489336494e+00 -1.489336494e+00 4.20 -1.447836579e+00 -1.447836579e+00 4.22 -1.406797381e+00 -1.406797381e+00 4.24 -1.366257528e+00 -1.366257528e+00 4.26 -1.326267128e+00 -1.326267128e+00 4.28 -1.286886426e+00 -1.286886426e+00 4.30 -1.248183449e+00 -1.248183449e+00 4.32 -1.210230680e+00 -1.210230680e+00 4.34 -1.173100999e+00 -1.173100999e+00 4.36 -1.136863264e+00 -1.136863264e+00 4.38 -1.101577968e+00 -1.101577968e+00 4.40 -1.067293458e+00 -1.067293458e+00 4.42 -1.034043085e+00 -1.034043085e+00 4.44 -1.001843532e+00 -1.001843532e+00 4.46 -9.706943832e-01 -9.706943832e-01 4.48 -9.405788282e-01 -9.405788282e-01 4.50 -9.114652701e-01 -9.114652701e-01 4.52 -8.833095463e-01 -8.833095463e-01 4.54 -8.560574572e-01 -8.560574572e-01 4.56 -8.296473451e-01 -8.296473451e-01 4.58 -8.040125289e-01 -8.040125289e-01 4.60 -7.790834796e-01 -7.790834796e-01 4.62 -7.547896881e-01 -7.547896881e-01 4.64 -7.310612353e-01 -7.310612353e-01 4.66 -7.078301080e-01 -7.078301080e-01 4.68 -6.850313305e-01 -6.850313305e-01 4.70 -6.626039806e-01 -6.626039806e-01 4.72 -6.404921612e-01 -6.404921612e-01 4.74 -6.186459780e-01 -6.186459780e-01 4.76 -5.970225566e-01 -5.970225566e-01 4.78 -5.755871063e-01 -5.755871063e-01 4.80 -5.543109579e-01 -5.543109579e-01 4.82 -5.331853308e-01 -5.331853308e-01 4.84 -5.122023520e-01 -5.122023520e-01 4.86 -4.913697078e-01 -4.913697078e-01 4.88 -4.707073465e-01 -4.707073465e-01 4.90 -4.502473775e-01 -4.502473775e-01 4.92 -4.300333853e-01 -4.300333853e-01 4.94 -4.101190879e-01 -4.101190879e-01 4.96 -3.905663266e-01 -3.905663266e-01 4.98 -3.714424501e-01 -3.714424501e-01 5.00 -3.528172311e-01 -3.528172311e-01 5.02 -3.347595252e-01 -3.347595252e-01 5.04 -3.173339268e-01 -3.173339268e-01 5.06 -3.005976911e-01 -3.005976911e-01 5.08 -2.845981660e-01 -2.845981660e-01 5.10 -2.693709218e-01 -2.693709218e-01 5.12 -2.549386848e-01 -2.549386848e-01 5.14 -2.413110913e-01 -2.413110913e-01 5.16 -2.284851978e-01 -2.284851978e-01 5.18 -2.164466171e-01 -2.164466171e-01 5.20 -2.051711143e-01 -2.051711143e-01 5.22 -1.946264826e-01 -1.946264826e-01 5.24 -1.847745309e-01 -1.847745309e-01 5.26 -1.755730398e-01 -1.755730398e-01 5.28 -1.669775789e-01 -1.669775789e-01 5.30 -1.589431084e-01 -1.589431084e-01 5.32 -1.514253279e-01 -1.514253279e-01 5.34 -1.443817541e-01 -1.443817541e-01 5.36 -1.377725259e-01 -1.377725259e-01 5.38 -1.315607640e-01 -1.315607640e-01 5.40 -1.257133182e-01 -1.257133182e-01 5.42 -1.202007599e-01 -1.202007599e-01 5.44 -1.149971246e-01 -1.149971246e-01 5.46 -1.100797246e-01 -1.100797246e-01 5.48 -1.054288343e-01 -1.054288343e-01 5.50 -1.010272869e-01 -1.010272869e-01 5.52 -9.686002301e-02 -9.686002301e-02 5.54 -9.291362804e-02 -9.291362804e-02 5.56 -8.917589648e-02 -8.917589648e-02 5.58 -8.563544875e-02 -8.563544875e-02 5.60 -8.228142142e-02 -8.228142142e-02 5.62 -7.910322157e-02 -7.910322157e-02 5.64 -7.609024672e-02 -7.609024672e-02 5.66 -7.323222024e-02 -7.323222024e-02 5.68 -7.051895557e-02 -7.051895557e-02 5.70 -6.794032189e-02 -6.794032189e-02 5.72 -6.548631882e-02 -6.548631882e-02 5.74 -6.314715913e-02 -6.314715913e-02 5.76 -6.091334795e-02 -6.091334795e-02 5.78 -5.877575052e-02 -5.877575052e-02 5.80 -5.672564439e-02 -5.672564439e-02 5.82 -5.475475469e-02 -5.475475469e-02 5.84 -5.285527353e-02 -5.285527353e-02 5.86 -5.101986603e-02 -5.101986603e-02 5.88 -4.924166607e-02 -4.924166607e-02 5.90 -4.751426562e-02 -4.751426562e-02 5.92 -4.583170088e-02 -4.583170088e-02 5.94 -4.418843877e-02 -4.418843877e-02 5.96 -4.257936623e-02 -4.257936623e-02 5.98 -4.099978495e-02 -4.099978495e-02 6.00 -3.944541464e-02 -3.944541464e-02