# 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 = Al2NiTi # 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 1.196169648e+02 1.196169648e+02 1.30 1.108604341e+02 1.108604341e+02 1.32 1.027435340e+02 1.027435340e+02 1.34 9.521499369e+01 9.521499369e+01 1.36 8.822812716e+01 8.822812716e+01 1.38 8.174181541e+01 8.174181541e+01 1.40 7.571976162e+01 7.571976162e+01 1.42 7.012863361e+01 7.012863361e+01 1.44 6.493628159e+01 6.493628159e+01 1.46 6.011094762e+01 6.011094762e+01 1.48 5.562194420e+01 5.562194420e+01 1.50 5.144135183e+01 5.144135183e+01 1.52 4.754531580e+01 4.754531580e+01 1.54 4.391391476e+01 4.391391476e+01 1.56 4.052994805e+01 4.052994805e+01 1.58 3.737760805e+01 3.737760805e+01 1.60 3.444163718e+01 3.444163718e+01 1.62 3.170703544e+01 3.170703544e+01 1.64 2.915910645e+01 2.915910645e+01 1.66 2.678369484e+01 2.678369484e+01 1.68 2.456707237e+01 2.456707237e+01 1.70 2.249646579e+01 2.249646579e+01 1.72 2.056169623e+01 2.056169623e+01 1.74 1.875566051e+01 1.875566051e+01 1.76 1.706965534e+01 1.706965534e+01 1.78 1.549581295e+01 1.549581295e+01 1.80 1.402702656e+01 1.402702656e+01 1.82 1.265687832e+01 1.265687832e+01 1.84 1.137959108e+01 1.137959108e+01 1.86 1.018991852e+01 1.018991852e+01 1.88 9.082965751e+00 9.082965751e+00 1.90 8.053986362e+00 8.053986362e+00 1.92 7.098210732e+00 7.098210732e+00 1.94 6.210753300e+00 6.210753300e+00 1.96 5.386631834e+00 5.386631834e+00 1.98 4.620901115e+00 4.620901115e+00 2.00 3.908858971e+00 3.908858971e+00 2.02 3.246248252e+00 3.246248252e+00 2.04 2.629377789e+00 2.629377789e+00 2.06 2.055124758e+00 2.055124758e+00 2.08 1.520838850e+00 1.520838850e+00 2.10 1.024204876e+00 1.024204876e+00 2.12 5.631149472e-01 5.631149472e-01 2.14 1.355758288e-01 1.355758288e-01 2.16 -2.603440757e-01 -2.603440757e-01 2.18 -6.265348418e-01 -6.265348418e-01 2.20 -9.648431278e-01 -9.648431278e-01 2.22 -1.277059853e+00 -1.277059853e+00 2.24 -1.564903912e+00 -1.564903912e+00 2.26 -1.830003859e+00 -1.830003859e+00 2.28 -2.073878768e+00 -2.073878768e+00 2.30 -2.297921612e+00 -2.297921612e+00 2.32 -2.503391082e+00 -2.503391082e+00 2.34 -2.691411768e+00 -2.691411768e+00 2.36 -2.862980966e+00 -2.862980966e+00 2.38 -3.018979414e+00 -3.018979414e+00 2.40 -3.160187532e+00 -3.160187532e+00 2.42 -3.287309494e+00 -3.287309494e+00 2.44 -3.401004235e+00 -3.401004235e+00 2.46 -3.501919137e+00 -3.501919137e+00 2.48 -3.590719988e+00 -3.590719988e+00 2.50 -3.668112683e+00 -3.668112683e+00 2.52 -3.734871300e+00 -3.734871300e+00 2.54 -3.791850777e+00 -3.791850777e+00 2.56 -3.839868093e+00 -3.839868093e+00 2.58 -3.879783327e+00 -3.879783327e+00 2.60 -3.912488935e+00 -3.912488935e+00 2.62 -3.938877276e+00 -3.938877276e+00 2.64 -3.959795118e+00 -3.959795118e+00 2.66 -3.975996857e+00 -3.975996857e+00 2.68 -3.988098616e+00 -3.988098616e+00 2.70 -3.996499031e+00 -3.996499031e+00 2.72 -4.001440744e+00 -4.001440744e+00 2.74 -4.003002955e+00 -4.003002955e+00 2.76 -4.001367755e+00 -4.001367755e+00 2.78 -3.997657907e+00 -3.997657907e+00 2.80 -3.991746241e+00 -3.991746241e+00 2.82 -3.983269112e+00 -3.983269112e+00 2.84 -3.971936258e+00 -3.971936258e+00 2.86 -3.957519841e+00 -3.957519841e+00 2.88 -3.939846617e+00 -3.939846617e+00 2.90 -3.918792873e+00 -3.918792873e+00 2.92 -3.894281823e+00 -3.894281823e+00 2.94 -3.866286208e+00 -3.866286208e+00 2.96 -3.834850181e+00 -3.834850181e+00 2.98 -3.800082054e+00 -3.800082054e+00 3.00 -3.762146688e+00 -3.762146688e+00 3.02 -3.721270154e+00 -3.721270154e+00 3.04 -3.677738676e+00 -3.677738676e+00 3.06 -3.631889402e+00 -3.631889402e+00 3.08 -3.584091986e+00 -3.584091986e+00 3.10 -3.534724523e+00 -3.534724523e+00 3.12 -3.484147966e+00 -3.484147966e+00 3.14 -3.432684850e+00 -3.432684850e+00 3.16 -3.380605311e+00 -3.380605311e+00 3.18 -3.328122456e+00 -3.328122456e+00 3.20 -3.275395105e+00 -3.275395105e+00 3.22 -3.222535589e+00 -3.222535589e+00 3.24 -3.169619710e+00 -3.169619710e+00 3.26 -3.116696640e+00 -3.116696640e+00 3.28 -3.063797432e+00 -3.063797432e+00 3.30 -3.010941654e+00 -3.010941654e+00 3.32 -2.958142206e+00 -2.958142206e+00 3.34 -2.905408710e+00 -2.905408710e+00 3.36 -2.852749880e+00 -2.852749880e+00 3.38 -2.800175309e+00 -2.800175309e+00 3.40 -2.747696904e+00 -2.747696904e+00 3.42 -2.695330272e+00 -2.695330272e+00 3.44 -2.643095831e+00 -2.643095831e+00 3.46 -2.591019976e+00 -2.591019976e+00 3.48 -2.539135883e+00 -2.539135883e+00 3.50 -2.487483854e+00 -2.487483854e+00 3.52 -2.436110955e+00 -2.436110955e+00 3.54 -2.385069746e+00 -2.385069746e+00 3.56 -2.334416069e+00 -2.334416069e+00 3.58 -2.284206068e+00 -2.284206068e+00 3.60 -2.234492867e+00 -2.234492867e+00 3.62 -2.185323504e+00 -2.185323504e+00 3.64 -2.136736650e+00 -2.136736650e+00 3.66 -2.088761486e+00 -2.088761486e+00 3.68 -2.041417802e+00 -2.041417802e+00 3.70 -1.994717115e+00 -1.994717115e+00 3.72 -1.948664463e+00 -1.948664463e+00 3.74 -1.903260498e+00 -1.903260498e+00 3.76 -1.858503566e+00 -1.858503566e+00 3.78 -1.814391529e+00 -1.814391529e+00 3.80 -1.770923182e+00 -1.770923182e+00 3.82 -1.728099148e+00 -1.728099148e+00 3.84 -1.685922164e+00 -1.685922164e+00 3.86 -1.644396745e+00 -1.644396745e+00 3.88 -1.603528245e+00 -1.603528245e+00 3.90 -1.563321452e+00 -1.563321452e+00 3.92 -1.523778890e+00 -1.523778890e+00 3.94 -1.484899274e+00 -1.484899274e+00 3.96 -1.446675958e+00 -1.446675958e+00 3.98 -1.409096190e+00 -1.409096190e+00 4.00 -1.372140824e+00 -1.372140824e+00 4.02 -1.335784710e+00 -1.335784710e+00 4.04 -1.299997629e+00 -1.299997629e+00 4.06 -1.264745663e+00 -1.264745663e+00 4.08 -1.229992851e+00 -1.229992851e+00 4.10 -1.195702950e+00 -1.195702950e+00 4.12 -1.161841714e+00 -1.161841714e+00 4.14 -1.128378344e+00 -1.128378344e+00 4.16 -1.095287848e+00 -1.095287848e+00 4.18 -1.062552835e+00 -1.062552835e+00 4.20 -1.030165243e+00 -1.030165243e+00 4.22 -9.981277400e-01 -9.981277400e-01 4.24 -9.664546305e-01 -9.664546305e-01 4.26 -9.351720906e-01 -9.351720906e-01 4.28 -9.043175869e-01 -9.043175869e-01 4.30 -8.739384096e-01 -8.739384096e-01 4.32 -8.440893590e-01 -8.440893590e-01 4.34 -8.148297498e-01 -8.148297498e-01 4.36 -7.862200037e-01 -7.862200037e-01 4.38 -7.583181677e-01 -7.583181677e-01 4.40 -7.311766909e-01 -7.311766909e-01 4.42 -7.048397325e-01 -7.048397325e-01 4.44 -6.793411636e-01 -6.793411636e-01 4.46 -6.547033067e-01 -6.547033067e-01 4.48 -6.309363553e-01 -6.309363553e-01 4.50 -6.080383588e-01 -6.080383588e-01 4.52 -5.859956449e-01 -5.859956449e-01 4.54 -5.647835677e-01 -5.647835677e-01 4.56 -5.443675082e-01 -5.443675082e-01 4.58 -5.247040795e-01 -5.247040795e-01 4.60 -5.057425052e-01 -5.057425052e-01 4.62 -4.874261431e-01 -4.874261431e-01 4.64 -4.696941158e-01 -4.696941158e-01 4.66 -4.524830059e-01 -4.524830059e-01 4.68 -4.357285699e-01 -4.357285699e-01 4.70 -4.193674322e-01 -4.193674322e-01 4.72 -4.033387316e-01 -4.033387316e-01 4.74 -3.875857038e-01 -3.875857038e-01 4.76 -3.720571942e-01 -3.720571942e-01 4.78 -3.567090932e-01 -3.567090932e-01 4.80 -3.415056304e-01 -3.415056304e-01 4.82 -3.264208117e-01 -3.264208117e-01 4.84 -3.114391442e-01 -3.114391442e-01 4.86 -2.965566780e-01 -2.965566780e-01 4.88 -2.817814229e-01 -2.817814229e-01 4.90 -2.671333890e-01 -2.671333890e-01 4.92 -2.526440977e-01 -2.526440977e-01 4.94 -2.383554959e-01 -2.383554959e-01 4.96 -2.243182486e-01 -2.243182486e-01 4.98 -2.105894507e-01 -2.105894507e-01 5.00 -1.972298662e-01 -1.972298662e-01 5.02 -1.843008687e-01 -1.843008687e-01 5.04 -1.718613089e-01 -1.718613089e-01 5.06 -1.599645557e-01 -1.599645557e-01 5.08 -1.486559472e-01 -1.486559472e-01 5.10 -1.379708420e-01 -1.379708420e-01 5.12 -1.279333928e-01 -1.279333928e-01 5.14 -1.185560801e-01 -1.185560801e-01 5.16 -1.098399632e-01 -1.098399632e-01 5.18 -1.017755407e-01 -1.017755407e-01 5.20 -9.434406700e-02 -9.434406700e-02 5.22 -8.751915671e-02 -8.751915671e-02 5.24 -8.126851350e-02 -8.126851350e-02 5.26 -7.555564308e-02 -7.555564308e-02 5.28 -7.034144423e-02 -7.034144423e-02 5.30 -6.558560452e-02 -6.558560452e-02 5.32 -6.124776563e-02 -6.124776563e-02 5.34 -5.728844992e-02 -5.728844992e-02 5.36 -5.366975273e-02 -5.366975273e-02 5.38 -5.035561156e-02 -5.035561156e-02 5.40 -4.731240407e-02 -4.731240407e-02 5.42 -4.450945468e-02 -4.450945468e-02 5.44 -4.191864375e-02 -4.191864375e-02 5.46 -3.951432697e-02 -3.951432697e-02 5.48 -3.727331220e-02 -3.727331220e-02 5.50 -3.517478529e-02 -3.517478529e-02 5.52 -3.320020825e-02 -3.320020825e-02 5.54 -3.133320740e-02 -3.133320740e-02 5.56 -2.955945979e-02 -2.955945979e-02 5.58 -2.786659034e-02 -2.786659034e-02 5.60 -2.624407978e-02 -2.624407978e-02 5.62 -2.468318268e-02 -2.468318268e-02 5.64 -2.317685290e-02 -2.317685290e-02 5.66 -2.171967077e-02 -2.171967077e-02 5.68 -2.030776458e-02 -2.030776458e-02 5.70 -1.893871811e-02 -1.893871811e-02 5.72 -1.761145616e-02 -1.761145616e-02 5.74 -1.632610151e-02 -1.632610151e-02 5.76 -1.508379645e-02 -1.508379645e-02 5.78 -1.388633153e-02 -1.388633153e-02 5.80 -1.273621209e-02 -1.273621209e-02 5.82 -1.163638587e-02 -1.163638587e-02 5.84 -1.058985702e-02 -1.058985702e-02 5.86 -9.599436692e-03 -9.599436692e-03 5.88 -8.667521230e-03 -8.667521230e-03 5.90 -7.795912171e-03 -7.795912171e-03 5.92 -6.985688370e-03 -6.985688370e-03 5.94 -6.237135189e-03 -6.237135189e-03 5.96 -5.549730065e-03 -5.549730065e-03 5.98 -4.922178717e-03 -4.922178717e-03 6.00 -4.352492356e-03 -4.352492356e-03