# 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 = Fe3Mo # 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 2.610379868e+02 nan nan 1.16 2.363380040e+02 nan nan 1.18 2.139407691e+02 nan nan 1.20 1.936210738e+02 nan nan 1.22 1.751758912e+02 nan nan 1.24 1.584235222e+02 nan nan 1.26 1.432020609e+02 nan nan 1.28 1.293669773e+02 2.190230031e+02 2.578483729e+02 1.30 1.167887657e+02 1.998643013e+02 2.358843518e+02 1.32 1.053514453e+02 1.823276283e+02 2.157434976e+02 1.34 9.495148488e+01 1.662578740e+02 1.972653958e+02 1.36 8.549629514e+01 1.515176159e+02 1.803072159e+02 1.38 7.690218863e+01 1.379867351e+02 1.647418530e+02 1.40 6.909243575e+01 1.255609358e+02 1.504554693e+02 1.42 6.199599069e+01 1.141496019e+02 1.373446338e+02 1.44 5.554697610e+01 1.036734012e+02 1.253137360e+02 1.46 4.968466254e+01 9.406193798e+01 1.142732931e+02 1.48 4.435364816e+01 8.525164458e+01 1.041393869e+02 1.50 3.950406433e+01 7.718402763e+01 9.483399878e+01 1.52 3.509175035e+01 6.980434811e+01 8.628566423e+01 1.54 3.108068838e+01 6.306078732e+01 7.842987247e+01 1.56 2.743773546e+01 5.690406987e+01 7.120896506e+01 1.58 2.413258789e+01 5.128740245e+01 6.457161475e+01 1.60 2.113806092e+01 4.616652854e+01 5.847205491e+01 1.62 1.842905273e+01 4.149974158e+01 5.286918570e+01 1.64 1.598198509e+01 3.724780686e+01 4.772567235e+01 1.66 1.377456740e+01 3.337407507e+01 4.300716482e+01 1.68 1.178575597e+01 2.984682359e+01 3.868173313e+01 1.70 9.995760834e+00 2.663395026e+01 3.471953181e+01 1.72 8.386023806e+00 2.370495682e+01 3.109454104e+01 1.74 6.939188133e+00 2.103205969e+01 2.778248333e+01 1.76 5.639122533e+00 1.859023615e+01 2.475865190e+01 1.78 4.471021441e+00 1.635735737e+01 2.200037613e+01 1.80 3.421525640e+00 1.431415220e+01 1.948658801e+01 1.82 2.478770139e+00 1.244401090e+01 1.719757825e+01 1.84 1.632301705e+00 1.073268402e+01 1.511471819e+01 1.86 8.728819273e-01 9.167921133e+00 1.322022152e+01 1.88 1.922440029e-01 7.739070211e+00 1.149702346e+01 1.90 -4.171243496e-01 6.436658221e+00 9.928818160e+00 1.92 -9.621294835e-01 5.251990529e+00 8.500236484e+00 1.94 -1.449146412e+00 4.176816032e+00 7.197090660e+00 1.96 -1.884039163e+00 3.203095195e+00 6.006591393e+00 1.98 -2.272154763e+00 2.322886766e+00 4.917468024e+00 2.00 -2.618313503e+00 1.528346267e+00 3.919973151e+00 2.02 -2.926808495e+00 8.118104873e-01 3.005793564e+00 2.04 -3.201420265e+00 1.659286624e-01 2.167901243e+00 2.06 -3.445448412e+00 -4.162036016e-01 1.400370557e+00 2.08 -3.661726497e+00 -9.409433506e-01 6.981789870e-01 2.10 -3.852539523e+00 -1.414048712e+00 5.700651296e-02 2.12 -4.020374005e+00 -1.840672484e+00 -5.269507585e-01 2.14 -4.167460484e+00 -2.225385171e+00 -1.057139784e+00 2.16 -4.295718246e+00 -2.572212552e+00 -1.536775874e+00 2.18 -4.406824868e+00 -2.884680417e+00 -1.968934136e+00 2.20 -4.502224972e+00 -3.165865227e+00 -2.356611507e+00 2.22 -4.582854738e+00 -3.418450638e+00 -2.702765127e+00 2.24 -4.649454883e+00 -3.644787375e+00 -3.010332092e+00 2.26 -4.702796822e+00 -3.846951538e+00 -3.282234053e+00 2.28 -4.743654983e+00 -4.026663728e+00 -3.521368898e+00 2.30 -4.772789977e+00 -4.185593531e+00 -3.730591279e+00 2.32 -4.790941717e+00 -4.325535371e+00 -3.912684418e+00 2.34 -4.798828369e+00 -4.448069090e+00 -4.070327008e+00 2.36 -4.797147137e+00 -4.554594739e+00 -4.206060176e+00 2.38 -4.786575101e+00 -4.646360165e+00 -4.322093497e+00 2.40 -4.767775690e+00 -4.724463474e+00 -4.420684272e+00 2.42 -4.741351397e+00 -4.789638758e+00 -4.504131106e+00 2.44 -4.707862703e+00 -4.842422022e+00 -4.574479148e+00 2.46 -4.667826816e+00 -4.883376501e+00 -4.633524050e+00 2.48 -4.621710531e+00 -4.913087955e+00 -4.682820177e+00 2.50 -4.569929565e+00 -4.932159345e+00 -4.723523217e+00 2.52 -4.512825373e+00 -4.941207194e+00 -4.756228239e+00 2.54 -4.450220256e+00 -4.940857020e+00 -4.781468603e+00 2.56 -4.381615910e+00 -4.931736541e+00 -4.799782667e+00 2.58 -4.306654129e+00 -4.914466728e+00 -4.811696318e+00 2.60 -4.225137605e+00 -4.889655940e+00 -4.817708481e+00 2.62 -4.137037315e+00 -4.857885937e+00 -4.818280071e+00 2.64 -4.042494811e+00 -4.819688349e+00 -4.813826043e+00 2.66 -3.941814402e+00 -4.775555578e+00 -4.804713428e+00 2.68 -3.835442016e+00 -4.725947059e+00 -4.791258623e+00 2.70 -3.723930473e+00 -4.671292027e+00 -4.773700193e+00 2.72 -3.607894388e+00 -4.611995452e+00 -4.752222526e+00 2.74 -3.487961155e+00 -4.548353096e+00 -4.726958320e+00 2.76 -3.364726194e+00 -4.480435259e+00 -4.697991070e+00 2.78 -3.238720209e+00 -4.408034516e+00 -4.665360324e+00 2.80 -3.110393557e+00 -4.330931961e+00 -4.629069733e+00 2.82 -2.980118963e+00 -4.249033845e+00 -4.589079534e+00 2.84 -2.848209906e+00 -4.162363833e+00 -4.545069122e+00 2.86 -2.714949195e+00 -4.071051466e+00 -4.496565479e+00 2.88 -2.580621072e+00 -3.975317016e+00 -4.443181566e+00 2.90 -2.445540612e+00 -3.875453460e+00 -4.384617238e+00 2.92 -2.310075797e+00 -3.771807014e+00 -4.320652143e+00 2.94 -2.174659832e+00 -3.664757744e+00 -4.251136620e+00 2.96 -2.039793520e+00 -3.554701396e+00 -4.175980674e+00 2.98 -1.906039193e+00 -3.442033025e+00 -4.095141805e+00 3.00 -1.774008566e+00 -3.327132591e+00 -4.008612927e+00 3.02 -1.644346825e+00 -3.210352741e+00 -3.916411877e+00 3.04 -1.517714548e+00 -3.092009315e+00 -3.818573950e+00 3.06 -1.394768227e+00 -2.972375572e+00 -3.715148627e+00 3.08 -1.276139648e+00 -2.851681284e+00 -3.606201222e+00 3.10 -1.162414542e+00 -2.730117598e+00 -3.491819681e+00 3.12 -1.054111517e+00 -2.607847862e+00 -3.372126211e+00 3.14 -9.516630868e-01 -2.485023647e+00 -3.247292864e+00 3.16 -8.554009288e-01 -2.361804270e+00 -3.117559651e+00 3.18 -7.655472935e-01 -2.238377382e+00 -2.983253256e+00 3.20 -6.822135531e-01 -2.114977830e+00 -2.844803986e+00 3.22 -6.054056638e-01 -1.991902089e+00 -2.702758410e+00 3.24 -5.350351733e-01 -1.869516041e+00 -2.557785226e+00 3.26 -4.709336868e-01 -1.748254786e+00 -2.410672462e+00 3.28 -4.128685600e-01 -1.628614254e+00 -2.262315072e+00 3.30 -3.605579848e-01 -1.511135626e+00 -2.113693297e+00 3.32 -3.136842482e-01 -1.396384574e+00 -1.965843463e+00 3.34 -2.719047685e-01 -1.284927975e+00 -1.819824004e+00 3.36 -2.348610943e-01 -1.177310850e+00 -1.676679978e+00 3.38 -2.021861186e-01 -1.074035857e+00 -1.537409232e+00 3.40 -1.735103767e-01 -9.755468127e-01 -1.402932653e+00 3.42 -1.484683434e-01 -8.822168114e-01 -1.274069923e+00 3.44 -1.267027089e-01 -7.943406957e-01 -1.151521246e+00 3.46 -1.078690979e-01 -7.121311984e-01 -1.035854821e+00 3.48 -9.164019706e-02 -6.357179659e-01 -9.274995723e-01 3.50 -7.770909356e-02 -5.651488582e-01 -8.267426594e-01 3.52 -6.579172388e-02 -5.003931936e-01 -7.337314707e-01 3.54 -5.562839102e-02 -4.413468298e-01 -6.484798948e-01 3.56 -4.698438552e-02 -3.878390483e-01 -5.708786362e-01 3.58 -3.964980274e-02 -3.396411358e-01 -5.007091248e-01 3.60 -3.343869369e-02 -2.964763798e-01 -4.376602865e-01 3.62 -2.818774185e-02 -2.580310151e-01 -3.813471747e-01 3.64 -2.375420458e-02 -2.239655316e-01 -3.313303157e-01 3.66 -2.001362356e-02 -1.939256783e-01 -2.871346196e-01 3.68 -1.686110569e-02 -1.675526119e-01 -2.482668776e-01 3.70 -1.420642022e-02 -1.444917765e-01 -2.142310703e-01 3.72 -1.197218692e-02 -1.244002053e-01 -1.845410514e-01 3.74 -1.009242033e-02 -1.069517693e-01 -1.587304738e-01 3.76 -8.511095352e-03 -9.184150054e-02 -1.363600127e-01 3.78 -7.180802103e-03 -7.878913831e-02 -1.170219511e-01 3.80 -6.061523581e-03 -6.753901852e-02 -1.003429779e-01 3.82 -5.119548607e-03 -5.786029247e-02 -8.598554013e-02 3.84 -4.326519785e-03 -4.954646616e-02 -7.364682513e-02 3.86 -3.658608971e-03 -4.241429931e-02 -6.305746511e-02 3.88 -3.095809129e-03 -3.630228928e-02 -5.397957027e-02 3.90 -2.621330098e-03 -3.106891708e-02 -4.620434149e-02 3.92 -2.221085547e-03 -2.659077804e-02 -3.954945955e-02 3.94 -1.883259001e-03 -2.276072006e-02 -3.385643165e-02 3.96 -1.597937835e-03 -1.948603402e-02 -2.898799867e-02 3.98 -1.356805352e-03 -1.668623234e-02 -2.482538996e-02 4.00 -1.152882138e-03 -1.429226939e-02 -2.126549000e-02 4.02 -9.803091112e-04 -1.224572977e-02 -1.822158876e-02 4.04 -8.341657237e-04 -1.049626722e-02 -1.561914998e-02 4.06 -7.103177434e-04 -9.000624950e-03 -1.339403945e-02 4.08 -6.052898387e-04 -7.721731158e-03 -1.149123628e-02 4.10 -5.161589676e-04 -6.627873449e-03 -9.863639290e-03 4.12 -4.404651850e-04 -5.691960281e-03 -8.470989341e-03 4.14 -3.761370167e-04 -4.890869359e-03 -7.278912904e-03 4.16 -3.214290108e-04 -4.204878641e-03 -6.258083328e-03 4.18 -2.748694727e-04 -3.617172931e-03 -5.383491561e-03 4.20 -2.352167055e-04 -3.113418371e-03 -4.633815993e-03 4.22 -2.014223587e-04 -2.681396937e-03 -3.990880431e-03 4.24 -1.726007147e-04 -2.310693422e-03 -3.439189454e-03 4.26 -1.480029437e-04 -1.992427956e-03 -2.965531112e-03 4.28 -1.269955069e-04 -1.719027831e-03 -2.558637827e-03 4.30 -1.090420313e-04 -1.484033082e-03 -2.208897365e-03 4.32 -9.368808972e-05 -1.281930984e-03 -1.908106734e-03 4.34 -8.054841151e-05 -1.108015249e-03 -1.649262772e-03 4.36 -6.929612431e-05 -9.582662783e-04 -1.426384030e-03 4.38 -5.965372836e-05 -8.292493499e-04 -1.234359316e-03 4.40 -5.138544635e-05 -7.180280613e-04 -1.068818918e-03 4.42 -4.429083006e-05 -6.220907357e-04 -9.260251181e-04 4.44 -3.819934453e-05 -5.392878451e-04 -8.027790831e-04 4.46 -3.296580463e-05 -4.677787893e-04 -6.963416814e-04 4.48 -2.846652275e-05 -4.059866198e-04 -6.043661126e-04 4.50 -2.459605423e-05 -3.525595093e-04 -5.248405770e-04 4.52 -2.126444222e-05 -3.063379516e-04 -4.560394569e-04 4.54 -1.839490747e-05 -2.663268263e-04 -3.964817989e-04 4.56 -1.592185192e-05 -2.316715975e-04 -3.448958188e-04 4.58 -1.378920813e-05 -2.016380246e-04 -3.001887648e-04 4.60 -1.194902002e-05 -1.755948592e-04 -2.614211549e-04 4.62 -1.036024292e-05 -1.529990803e-04 -2.277848062e-04 4.64 -8.987725065e-06 -1.333832901e-04 -1.985840781e-04 4.66 -7.801342465e-06 -1.163449465e-04 -1.732198499e-04 4.68 -6.775263588e-06 -1.015371623e-04 -1.511758278e-04 4.70 -5.887323954e-06 -8.866083601e-05 -1.320068356e-04 4.72 -5.118493835e-06 -7.745792006e-05 -1.153287961e-04 4.74 -4.452424942e-06 -6.770565750e-05 -1.008101544e-04 4.76 -3.875064111e-06 -5.921164529e-05 -8.816453133e-05 4.78 -3.374323856e-06 -5.180960335e-05 -7.714442698e-05 4.80 -2.939801251e-06 -4.535574039e-05 -6.753582108e-05 4.82 -2.562537921e-06 -3.972566555e-05 -5.915353995e-05 4.84 -2.234814954e-06 -3.481167700e-05 -5.183727873e-05 4.86 -1.949977586e-06 -3.052049269e-05 -4.544818438e-05 4.88 -1.702285216e-06 -2.677127001e-05 -3.986591868e-05 4.90 -1.486783040e-06 -2.349390856e-05 -3.498613237e-05 4.92 -1.299192085e-06 -2.062758975e-05 -3.071829155e-05 4.94 -1.135814982e-06 -1.811951939e-05 -2.698380629e-05 4.96 -9.934551625e-07 -1.592384446e-05 -2.371441838e-05 4.98 -8.693475196e-07 -1.400071937e-05 -2.085081168e-05 5.00 -7.610988839e-07 -1.231550076e-05 -1.834141354e-05 5.02 -6.666368892e-07 -1.083805249e-05 -1.614136051e-05 5.04 -5.841660213e-07 -9.542145788e-06 -1.421160540e-05 5.06 -5.121298174e-07 -8.404940836e-06 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