# 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 = Al3Mg # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 1.466601430e+02 nan nan 1.16 1.356711391e+02 nan nan 1.18 1.255390697e+02 nan nan 1.20 1.161875269e+02 nan nan 1.22 1.075466911e+02 nan nan 1.24 9.955371741e+01 nan nan 1.26 9.215379261e+01 nan nan 1.28 8.529889756e+01 1.284896868e+02 1.463517260e+02 1.30 7.894581295e+01 1.196417889e+02 1.364968120e+02 1.32 7.305540778e+01 1.114156489e+02 1.273331674e+02 1.34 6.759217954e+01 1.037629365e+02 1.188077167e+02 1.36 6.252307125e+01 9.664003010e+01 1.108714497e+02 1.38 5.781671355e+01 9.000861714e+01 1.034773125e+02 1.40 5.344408755e+01 8.383439979e+01 9.657970298e+01 1.42 4.937961403e+01 7.808480304e+01 9.013659150e+01 1.44 4.560101646e+01 7.272710732e+01 8.411205918e+01 1.46 4.208844355e+01 6.772821459e+01 7.847662794e+01 1.48 3.882761920e+01 6.305644258e+01 7.320535283e+01 1.50 3.579946337e+01 5.868414759e+01 6.827544107e+01 1.52 3.298462179e+01 5.458911892e+01 6.366480302e+01 1.54 3.036589836e+01 5.075387188e+01 5.935185794e+01 1.56 2.792863661e+01 4.716377480e+01 5.531604830e+01 1.58 2.566024642e+01 4.380524872e+01 5.153826731e+01 1.60 2.354937731e+01 4.066702026e+01 4.800086027e+01 1.62 2.158526540e+01 3.773928175e+01 4.468731406e+01 1.64 1.975751478e+01 3.500786577e+01 4.158286935e+01 1.66 1.805628790e+01 3.245836428e+01 3.867693267e+01 1.68 1.647266785e+01 3.007672193e+01 3.595521925e+01 1.70 1.499888252e+01 2.784983526e+01 3.340417835e+01 1.72 1.362822549e+01 2.576603634e+01 3.101207756e+01 1.74 1.235472670e+01 2.381518319e+01 2.876910748e+01 1.76 1.117274101e+01 2.198838934e+01 2.666700261e+01 1.78 1.007660494e+01 2.027767940e+01 2.469843444e+01 1.80 9.060433401e+00 1.867579523e+01 2.285646024e+01 1.82 8.118063115e+00 1.717615415e+01 2.113413054e+01 1.84 7.243153070e+00 1.577282143e+01 1.952423678e+01 1.86 6.429445843e+00 1.446039876e+01 1.801917823e+01 1.88 5.671147488e+00 1.323381480e+01 1.661100560e+01 1.90 4.963284972e+00 1.208808095e+01 1.529171841e+01 1.92 4.301882603e+00 1.101809179e+01 1.405377397e+01 1.94 3.683901959e+00 1.001855171e+01 1.289059817e+01 1.96 3.107018415e+00 9.084072212e+00 1.179683559e+01 1.98 2.569363080e+00 8.209415123e+00 1.076824379e+01 2.00 2.069321084e+00 7.389786344e+00 9.801354356e+00 2.02 1.605410375e+00 6.621064420e+00 8.893106868e+00 2.04 1.176219045e+00 5.899882427e+00 8.040600698e+00 2.06 7.803637138e-01 5.223542896e+00 7.240996616e+00 2.08 4.164378021e-01 4.589813032e+00 6.491526098e+00 2.10 8.294262546e-02 3.996688633e+00 5.789539878e+00 2.12 -2.217844172e-01 3.442206900e+00 5.132543375e+00 2.14 -4.996156411e-01 2.924346755e+00 4.518192610e+00 2.16 -7.526263538e-01 2.441014061e+00 3.944250390e+00 2.18 -9.830273736e-01 1.990084296e+00 3.408519376e+00 2.20 -1.193050295e+00 1.569472664e+00 2.908777626e+00 2.22 -1.384819141e+00 1.177202145e+00 2.442749868e+00 2.24 -1.560240718e+00 8.114542092e-01 2.008133931e+00 2.26 -1.720936953e+00 4.705957177e-01 1.602684229e+00 2.28 -1.868225370e+00 1.531848527e-01 1.224317997e+00 2.30 -2.003139841e+00 -1.420355969e-01 8.711990941e-01 2.32 -2.126479037e+00 -4.161549129e-01 5.417623438e-01 2.34 -2.238866018e+00 -6.701145068e-01 2.346803206e-01 2.36 -2.340806285e+00 -9.047345160e-01 -5.120349270e-02 2.38 -2.432734838e+00 -1.120744888e+00 -3.169458747e-01 2.40 -2.515050491e+00 -1.318821745e+00 -5.635599194e-01 2.42 -2.588140717e+00 -1.499627329e+00 -7.920532440e-01 2.44 -2.653259187e+00 -1.663848306e+00 -1.003449938e+00 2.46 -2.712215229e+00 -1.812228741e+00 -1.198800081e+00 2.48 -2.764687565e+00 -1.945591702e+00 -1.379176558e+00 2.50 -2.810419127e+00 -2.064848119e+00 -1.545658062e+00 2.52 -2.849258276e+00 -2.170994886e+00 -1.699296373e+00 2.54 -2.881130427e+00 -2.265107060e+00 -1.841077010e+00 2.56 -2.906020506e+00 -2.348327737e+00 -1.971881310e+00 2.58 -2.923971300e+00 -2.421853564e+00 -2.092461323e+00 2.60 -2.935105643e+00 -2.486908193e+00 -2.203432268e+00 2.62 -2.939690821e+00 -2.544696338e+00 -2.305280686e+00 2.64 -2.938139556e+00 -2.596485495e+00 -2.398383139e+00 2.66 -2.931001966e+00 -2.644724495e+00 -2.483027369e+00 2.68 -2.918956896e+00 -2.690362165e+00 -2.559434898e+00 2.70 -2.902773662e+00 -2.733179274e+00 -2.627781968e+00 2.72 -2.883251961e+00 -2.772930763e+00 -2.688257985e+00 2.74 -2.861155814e+00 -2.809356027e+00 -2.742397546e+00 2.76 -2.837158169e+00 -2.842196980e+00 -2.790634259e+00 2.78 -2.811806614e+00 -2.871215605e+00 -2.832654570e+00 2.80 -2.785512425e+00 -2.896207032e+00 -2.868301354e+00 2.82 -2.758557514e+00 -2.917006253e+00 -2.897586021e+00 2.84 -2.731114073e+00 -2.933499920e+00 -2.920696164e+00 2.86 -2.703269566e+00 -2.945629351e+00 -2.937990598e+00 2.88 -2.675052871e+00 -2.953370360e+00 -2.949976004e+00 2.90 -2.646457890e+00 -2.956726910e+00 -2.957263885e+00 2.92 -2.617462510e+00 -2.955733699e+00 -2.960525626e+00 2.94 -2.588043288e+00 -2.950461949e+00 -2.960440354e+00 2.96 -2.558182171e+00 -2.941028585e+00 -2.957606348e+00 2.98 -2.527871510e+00 -2.927607565e+00 -2.952503092e+00 3.00 -2.497114251e+00 -2.910440732e+00 -2.945478090e+00 3.02 -2.465922337e+00 -2.889844443e+00 -2.936757514e+00 3.04 -2.434314021e+00 -2.866207783e+00 -2.926468873e+00 3.06 -2.402310902e+00 -2.839980384e+00 -2.914669419e+00 3.08 -2.369935265e+00 -2.811647210e+00 -2.901373382e+00 3.10 -2.337208327e+00 -2.781696989e+00 -2.886574171e+00 3.12 -2.304159937e+00 -2.750587583e+00 -2.870260149e+00 3.14 -2.270804261e+00 -2.718717437e+00 -2.852424327e+00 3.16 -2.237146968e+00 -2.686405622e+00 -2.833069100e+00 3.18 -2.203195097e+00 -2.653886294e+00 -2.812207481e+00 3.20 -2.168958680e+00 -2.621313405e+00 -2.789862063e+00 3.22 -2.134452452e+00 -2.588773392e+00 -2.766063132e+00 3.24 -2.099697314e+00 -2.556301479e+00 -2.740845901e+00 3.26 -2.064721244e+00 -2.523898066e+00 -2.714248568e+00 3.28 -2.029559474e+00 -2.491542901e+00 -2.686310616e+00 3.30 -1.994253889e+00 -2.459205980e+00 -2.657071967e+00 3.32 -1.958851375e+00 -2.426855099e+00 -2.626573026e+00 3.34 -1.923394986e+00 -2.394460598e+00 -2.594855724e+00 3.36 -1.887922486e+00 -2.361998074e+00 -2.561965612e+00 3.38 -1.852473699e+00 -2.329449831e+00 -2.527955007e+00 3.40 -1.817088978e+00 -2.296805590e+00 -2.492887029e+00 3.42 -1.781807405e+00 -2.264071302e+00 -2.456840206e+00 3.44 -1.746666826e+00 -2.231254303e+00 -2.419913025e+00 3.46 -1.711701354e+00 -2.198361052e+00 -2.382227603e+00 3.48 -1.676942212e+00 -2.165406558e+00 -2.343935034e+00 3.50 -1.642417092e+00 -2.132413330e+00 -2.305214365e+00 3.52 -1.608149961e+00 -2.099410062e+00 -2.266251872e+00 3.54 -1.574160767e+00 -2.066430087e+00 -2.227245260e+00 3.56 -1.540465209e+00 -2.033509739e+00 -2.188395062e+00 3.58 -1.507074470e+00 -2.000686724e+00 -2.149892658e+00 3.60 -1.473994956e+00 -1.967998600e+00 -2.111909294e+00 3.62 -1.441228070e+00 -1.935481429e+00 -2.074587395e+00 3.64 -1.408769978e+00 -1.903168292e+00 -2.038035236e+00 3.66 -1.376611367e+00 -1.871082658e+00 -2.002325237e+00 3.68 -1.344737188e+00 -1.839237615e+00 -1.967495457e+00 3.70 -1.313126412e+00 -1.807643004e+00 -1.933553449e+00 3.72 -1.281751869e+00 -1.776305103e+00 -1.900480723e+00 3.74 -1.250580243e+00 -1.745226231e+00 -1.868232549e+00 3.76 -1.219572334e+00 -1.714404531e+00 -1.836746422e+00 3.78 -1.188683661e+00 -1.683833923e+00 -1.805952155e+00 3.80 -1.157865508e+00 -1.653504222e+00 -1.775775827e+00 3.82 -1.127066476e+00 -1.623401413e+00 -1.746142989e+00 3.84 -1.096234623e+00 -1.593508053e+00 -1.716981207e+00 3.86 -1.065320229e+00 -1.563803766e+00 -1.688222052e+00 3.88 -1.034279197e+00 -1.534265815e+00 -1.659802667e+00 3.90 -1.003077018e+00 -1.504869684e+00 -1.631666978e+00 3.92 -9.716930897e-01 -1.475589572e+00 -1.603766524e+00 3.94 -9.401254808e-01 -1.446399357e+00 -1.576061489e+00 3.96 -9.083946536e-01 -1.417272448e+00 -1.548520406e+00 3.98 -8.765470500e-01 -1.388182705e+00 -1.521120637e+00 4.00 -8.446567422e-01 -1.359104727e+00 -1.493847958e+00 4.02 -8.128250078e-01 -1.330014245e+00 -1.466695976e+00 4.04 -7.811772904e-01 -1.300888548e+00 -1.439665276e+00 4.06 -7.498574022e-01 -1.271706998e+00 -1.412762368e+00 4.08 -7.190192558e-01 -1.242451711e+00 -1.385998515e+00 4.10 -6.888168749e-01 -1.213108180e+00 -1.359388502e+00 4.12 -6.593938137e-01 -1.183667718e+00 -1.332949446e+00 4.14 -6.308732962e-01 -1.154127003e+00 -1.306699675e+00 4.16 -6.033503144e-01 -1.124491229e+00 -1.280657741e+00 4.18 -5.768866009e-01 -1.094775638e+00 -1.254841584e+00 4.20 -5.515088936e-01 -1.065007382e+00 -1.229267853e+00 4.22 -5.272105321e-01 -1.035227075e+00 -1.203951379e+00 4.24 -5.039555776e-01 -1.005489716e+00 -1.178904788e+00 4.26 -4.816851063e-01 -9.758646862e-01 -1.154138238e+00 4.28 -4.603244987e-01 -9.464345427e-01 -1.129659238e+00 4.30 -4.397910592e-01 -9.172924828e-01 -1.105472556e+00 4.32 -4.200012865e-01 -8.885385085e-01 -1.081580170e+00 4.34 -4.008773024e-01 -8.602745455e-01 -1.057981251e+00 4.36 -3.823519453e-01 -8.325989537e-01 -1.034672161e+00 4.38 -3.643732345e-01 -8.056009999e-01 -1.011646457e+00 4.40 -3.469056691e-01 -7.793558918e-01 -9.888948759e-01 4.42 -3.299316147e-01 -7.539208909e-01 -9.664053035e-01 4.44 -3.134502329e-01 -7.293328507e-01 -9.441627225e-01 4.46 -2.974751547e-01 -7.056073045e-01 -9.221491337e-01 4.48 -2.820309692e-01 -6.827390084e-01 -9.003434619e-01 4.50 -2.671488976e-01 -6.607036809e-01 -8.787214582e-01 4.52 -2.528619876e-01 -6.394605779e-01 -8.572552586e-01 4.54 -2.392011352e-01 -6.189555294e-01 -8.359148293e-01 4.56 -2.261903076e-01 -5.991241010e-01 -8.146656326e-01 4.58 -2.138441941e-01 -5.798946257e-01 -7.934703809e-01 4.60 -2.021662562e-01 -5.611909446e-01 -7.722888240e-01 4.62 -1.911481340e-01 -5.429347836e-01 -7.510781189e-01 4.64 -1.807701295e-01 -5.250477652e-01 -7.297933794e-01 4.66 -1.710025471e-01 -5.074531047e-01 -7.083884308e-01 4.68 -1.618076177e-01 -4.900770712e-01 -6.868168051e-01 4.70 -1.531417354e-01 -4.728503025e-01 -6.650330006e-01 4.72 -1.449577728e-01 -4.557090609e-01 -6.429940305e-01 4.74 -1.372072941e-01 -4.385965018e-01 -6.206612695e-01 4.76 -1.298425526e-01 -4.214640005e-01 -5.980025867e-01 4.78 -1.228182100e-01 -4.042725542e-01 -5.749947277e-01 4.80 -1.160927153e-01 -3.869940487e-01 -5.516258684e-01 4.82 -1.096294224e-01 -3.696134917e-01 -5.278982188e-01 4.84 -1.033973915e-01 -3.521291189e-01 -5.038305066e-01 4.86 -9.737138587e-02 -3.345543473e-01 -4.794601241e-01 4.88 -9.153260351e-02 -3.169182318e-01 -4.548446877e-01 4.90 -8.587002350e-02 -2.992655696e-01 -4.300627468e-01 4.92 -8.037825489e-02 -2.816562712e-01 -4.052133992e-01 4.94 -7.505712389e-02 -2.641638873e-01 -3.804146327e-01 4.96 -6.991099859e-02 -2.468732536e-01 -3.558003144e-01 4.98 -6.494785095e-02 -2.298773084e-01 -3.315158860e-01 5.00 -6.017813779e-02 -2.132732422e-01 -3.077129816e-01 5.02 -5.561359888e-02 -1.971582319e-01 -2.845433258e-01 5.04 -5.126604677e-02 -1.816250848e-01 -2.621523883e-01 5.06 -4.714625429e-02 -1.667581403e-01 -2.406733172e-01 5.08 -4.326301574e-02 -1.526297600e-01 -2.202216562e-01 5.10 -3.962243995e-02 -1.392976686e-01 -2.008912583e-01 5.12 -3.622749139e-02 -1.268033047e-01 -1.827516650e-01 5.14 -3.307781599e-02 -1.151712295e-01 -1.658470437e-01 5.16 -3.016980125e-02 -1.044095257e-01 -1.501966130e-01 5.18 -2.749683201e-02 -9.451103471e-02 -1.357963437e-01 5.20 -2.504969204e-02 -8.545521916e-02 -1.226216326e-01 5.22 -2.281705559e-02 -7.721043024e-02 -1.106306080e-01 5.24 -2.078592257e-02 -6.973633729e-02 -9.976773275e-02 5.26 -1.894200503e-02 -6.298635270e-02 -8.996741618e-02 5.28 -1.727095193e-02 -5.690989114e-02 -8.115740444e-02 5.30 -1.575824812e-02 -5.145434502e-02 -7.326180391e-02 5.32 -1.438952421e-02 -4.656676953e-02 -6.620364450e-02 5.34 -1.315085828e-02 -4.219523988e-02 -5.990694317e-02 5.36 -1.202900288e-02 -3.828987349e-02 -5.429826776e-02 5.38 -1.101154532e-02 -3.480280633e-02 -4.930789885e-02 5.40 -1.008701164e-02 -3.169027813e-02 -4.487058676e-02 5.42 -9.244924861e-03 -2.891231742e-02 -4.092598304e-02 5.44 -8.475827536e-03 -2.643243782e-02 -3.741805037e-02 5.46 -7.771277228e-03 -2.421761235e-02 -3.429692842e-02 5.48 -7.123821999e-03 -2.223804392e-02 -3.151803267e-02 5.50 -6.526961104e-03 -2.046695303e-02 -2.904119205e-02 5.52 -5.975094560e-03 -1.888049470e-02 -2.683046836e-02 5.54 -5.463463801e-03 -1.745755279e-02 -2.485377366e-02 5.56 -4.988084642e-03 -1.617939689e-02 -2.308286889e-02 5.58 -4.545673182e-03 -1.502943595e-02 -2.149263310e-02 5.60 -4.133565145e-03 -1.399298351e-02 -2.006116909e-02 5.62 -3.749629502e-03 -1.305704086e-02 -1.876923137e-02 5.64 -3.392177869e-03 -1.221010141e-02 -1.759993583e-02 5.66 -3.059872009e-03 -1.144197682e-02 -1.653848919e-02 5.68 -2.751632595e-03 -1.074364388e-02 -1.557194094e-02 5.70 -2.466552929e-03 -1.010711014e-02 -1.468895857e-02 5.72 -2.203821418e-03 -9.525296195e-03 -1.387962594e-02 5.74 -1.962656214e-03 -8.991932015e-03 -1.313526382e-02 5.76 -1.742254504e-03 -8.501465395e-03 -1.244827099e-02 5.78 -1.541757664e-03 -8.048980735e-03 -1.181198447e-02 5.80 -1.360232083e-03 -7.630126688e-03 -1.122055691e-02 5.82 -1.196664169e-03 -7.241051619e-03 -1.066884973e-02 5.84 -1.049967035e-03 -6.878345992e-03 -1.015234008e-02 5.86 -9.189957621e-04 -6.538991060e-03 -9.667040405e-03 5.88 -8.025680057e-04 -6.220313326e-03 -9.209429047e-03 5.90 -6.994869382e-04 -5.919944355e-03 -8.776390790e-03 5.92 -6.085640137e-04 -5.635785557e-03 -8.365166220e-03 5.94 -5.286396926e-04 -5.365977634e-03 -7.973308966e-03 5.96 -4.586009263e-04 -5.108874349e-03 -7.598649978e-03 5.98 -3.973948015e-04 -4.863020331e-03 -7.239268109e-03 6.00 -3.440382295e-04 -4.627132611e-03 -6.893466333e-03