# 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 = Ta3Ti # 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 4.284126348e+02 nan nan 1.16 3.948735694e+02 nan nan 1.18 3.640359898e+02 nan nan 1.20 3.356665624e+02 nan nan 1.22 3.095567373e+02 nan nan 1.24 2.855165076e+02 nan nan 1.26 2.633697046e+02 nan nan 1.28 2.429525164e+02 3.724560981e+02 4.258015737e+02 1.30 2.241143481e+02 3.456339909e+02 3.958910371e+02 1.32 2.067188707e+02 3.207913154e+02 3.681536026e+02 1.34 1.906438770e+02 2.977727278e+02 3.424141539e+02 1.36 1.757799596e+02 2.764348139e+02 3.185138461e+02 1.38 1.620286605e+02 2.566450459e+02 2.963088284e+02 1.40 1.493006828e+02 2.382815460e+02 2.756679563e+02 1.42 1.375145825e+02 2.212327500e+02 2.564705565e+02 1.44 1.265960932e+02 2.053963993e+02 2.386049670e+02 1.46 1.164778076e+02 1.906780480e+02 2.219681241e+02 1.48 1.070987589e+02 1.769896783e+02 2.064658882e+02 1.50 9.840367268e+01 1.642490010e+02 1.920132947e+02 1.52 9.034202132e+01 1.523796138e+02 1.785340392e+02 1.54 8.286715970e+01 1.413116815e+02 1.659592196e+02 1.56 7.593571886e+01 1.309825469e+02 1.542259149e+02 1.58 6.950725578e+01 1.213368033e+02 1.432761174e+02 1.60 6.354405929e+01 1.123257300e+02 1.330561189e+02 1.62 5.801101397e+01 1.039063324e+02 1.235161399e+02 1.64 5.287547997e+01 9.604029829e+01 1.146099454e+02 1.66 4.810719936e+01 8.869305074e+01 1.062943300e+02 1.68 4.367826709e+01 8.183295908e+01 9.852855270e+01 1.70 3.956317868e+01 7.543071485e+01 9.127392676e+01 1.72 3.573889369e+01 6.945883822e+01 8.449374204e+01 1.74 3.218480664e+01 6.389126445e+01 7.815350505e+01 1.76 2.888255206e+01 5.870299316e+01 7.222131615e+01 1.78 2.581565129e+01 5.386984030e+01 6.666816477e+01 1.80 2.296906568e+01 4.936834957e+01 6.146800175e+01 1.82 2.033300399e+01 4.517586777e+01 5.659756956e+01 1.84 1.790517079e+01 4.127071506e+01 5.203607011e+01 1.86 1.567230739e+01 3.763235626e+01 4.776477455e+01 1.88 1.362089357e+01 3.424151019e+01 4.376663847e+01 1.90 1.173796996e+01 3.108018379e+01 4.002593590e+01 1.92 1.001120867e+01 2.813164907e+01 3.652791808e+01 1.94 8.428972294e+00 2.538039113e+01 3.325852697e+01 1.96 6.980339586e+00 2.281205024e+01 3.020420103e+01 1.98 5.655076149e+00 2.041633234e+01 2.735178820e+01 2.00 4.443550711e+00 1.819167418e+01 2.468854905e+01 2.02 3.336624834e+00 1.612738081e+01 2.220221430e+01 2.04 2.325562749e+00 1.421190177e+01 1.988539918e+01 2.06 1.402004355e+00 1.243457687e+01 1.773512779e+01 2.08 5.580160691e-01 1.078568330e+01 1.574048202e+01 2.10 -2.138034098e-01 9.256414529e+00 1.389108255e+01 2.12 -9.202102715e-01 7.838813958e+00 1.217714799e+01 2.14 -1.567239657e+00 6.525672504e+00 1.058945244e+01 2.16 -2.160185385e+00 5.310412076e+00 9.119187735e+00 2.18 -2.703629817e+00 4.186974673e+00 7.757857519e+00 2.20 -3.201508843e+00 3.149725730e+00 6.497237687e+00 2.22 -3.657200608e+00 2.193369731e+00 5.329420787e+00 2.24 -4.073628477e+00 1.312874133e+00 4.246932287e+00 2.26 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2.62 -7.117508165e+00 -6.445894689e+00 -5.941572485e+00 2.64 -7.122208253e+00 -6.579389701e+00 -6.119060329e+00 2.66 -7.118391656e+00 -6.696810229e+00 -6.274859570e+00 2.68 -7.106461202e+00 -6.799125391e+00 -6.410726360e+00 2.70 -7.086272433e+00 -6.887243557e+00 -6.528373595e+00 2.72 -7.057554338e+00 -6.961996187e+00 -6.629455748e+00 2.74 -7.020170536e+00 -7.023981436e+00 -6.715548855e+00 2.76 -6.973992904e+00 -7.073963643e+00 -6.788128283e+00 2.78 -6.918972723e+00 -7.112815321e+00 -6.848548408e+00 2.80 -6.855137580e+00 -7.141331245e+00 -6.897983832e+00 2.82 -6.782573159e+00 -7.160232820e+00 -6.937269525e+00 2.84 -6.701405422e+00 -7.170179116e+00 -6.967537662e+00 2.86 -6.611784862e+00 -7.171778352e+00 -6.989834399e+00 2.88 -6.513874035e+00 -7.165599059e+00 -7.005050517e+00 2.90 -6.407793793e+00 -7.152166980e+00 -7.013946511e+00 2.92 -6.293604583e+00 -7.131753131e+00 -7.017175783e+00 2.94 -6.171397787e+00 -7.104356341e+00 -7.015304118e+00 2.96 -6.041316307e+00 -7.069973470e+00 -7.008824939e+00 2.98 -5.903574705e+00 -7.028699899e+00 -6.998120834e+00 3.00 -5.758484155e+00 -6.980684205e+00 -6.983173856e+00 3.02 -5.606479189e+00 -6.926054833e+00 -6.963854569e+00 3.04 -5.448141634e+00 -6.864978701e+00 -6.940100373e+00 3.06 -5.284216495e+00 -6.797646773e+00 -6.911933985e+00 3.08 -5.115614709e+00 -6.724259251e+00 -6.879351853e+00 3.10 -4.943398941e+00 -6.645014562e+00 -6.842355843e+00 3.12 -4.768750856e+00 -6.560103558e+00 -6.800965309e+00 3.14 -4.592921422e+00 -6.469704232e+00 -6.755207088e+00 3.16 -4.417169010e+00 -6.373910164e+00 -6.705107631e+00 3.18 -4.242692736e+00 -6.272777036e+00 -6.650687459e+00 3.20 -4.070569676e+00 -6.166404252e+00 -6.591958128e+00 3.22 -3.901704231e+00 -6.054950319e+00 -6.528921812e+00 3.24 -3.736795911e+00 -5.938644891e+00 -6.461553573e+00 3.26 -3.576328921e+00 -5.817796617e+00 -6.389766997e+00 3.28 -3.420583534e+00 -5.692794726e+00 -6.313479524e+00 3.30 -3.269666120e+00 -5.564102974e+00 -6.232630610e+00 3.32 -3.123552138e+00 -5.432245501e+00 -6.147185258e+00 3.34 -2.982134881e+00 -5.297785382e+00 -6.057135543e+00 3.36 -2.845272610e+00 -5.161297873e+00 -5.962499140e+00 3.38 -2.712827817e+00 -5.023341341e+00 -5.863314598e+00 3.40 -2.584694444e+00 -4.884429273e+00 -5.759634022e+00 3.42 -2.460811317e+00 -4.745006697e+00 -5.651514573e+00 3.44 -2.341162978e+00 -4.605433319e+00 -5.539010424e+00 3.46 -2.225769133e+00 -4.465974917e+00 -5.422166580e+00 3.48 -2.114668127e+00 -4.326802913e+00 -5.301015314e+00 3.50 -2.007897084e+00 -4.188001222e+00 -5.175575408e+00 3.52 -1.905473061e+00 -4.049578729e+00 -5.045854415e+00 3.54 -1.807378147e+00 -3.911485478e+00 -4.911852846e+00 3.56 -1.713550440e+00 -3.773630887e+00 -4.773571500e+00 3.58 -1.623881617e+00 -3.635902674e+00 -4.631020972e+00 3.60 -1.538220716e+00 -3.498185791e+00 -4.484233782e+00 3.62 -1.456382926e+00 -3.360381035e+00 -4.333278980e+00 3.64 -1.378161695e+00 -3.222423200e+00 -4.178278849e+00 3.66 -1.303342344e+00 -3.084298534e+00 -4.019426986e+00 3.68 -1.231715533e+00 -2.946060867e+00 -3.857006606e+00 3.70 -1.163089185e+00 -2.807845465e+00 -3.691407490e+00 3.72 -1.097297893e+00 -2.669879290e+00 -3.523139664e+00 3.74 -1.034209180e+00 -2.532486314e+00 -3.352841716e+00 3.76 -9.737263416e-01 -2.396086663e+00 -3.181281718e+00 3.78 -9.157879185e-01 -2.261188779e+00 -3.009349124e+00 3.80 -8.603641150e-01 -2.128374419e+00 -2.838036743e+00 3.82 -8.074507131e-01 -1.998277030e+00 -2.668412937e+00 3.84 -7.570612212e-01 -1.871554890e+00 -2.501585395e+00 3.86 -7.092181059e-01 -1.748861048e+00 -2.338659049e+00 3.88 -6.639439863e-01 -1.630812623e+00 -2.180691609e+00 3.90 -6.212536074e-01 -1.517962153e+00 -2.028650687e+00 3.92 -5.811472365e-01 -1.410773431e+00 -1.883376351e+00 3.94 -5.436060531e-01 -1.309603889e+00 -1.745552500e+00 3.96 -5.085893929e-01 -1.214694187e+00 -1.615688578e+00 3.98 -4.760342553e-01 -1.126165799e+00 -1.494113116e+00 4.00 -4.458564667e-01 -1.044025499e+00 -1.380977902e+00 4.02 -4.179532220e-01 -9.681756769e-01 -1.276271358e+00 4.04 -3.922063752e-01 -8.984288199e-01 -1.179838713e+00 4.06 -3.684871715e-01 -8.345244242e-01 -1.091406318e+00 4.08 -3.466598196e-01 -7.761467238e-01 -1.010607587e+00 4.10 -3.265852678e-01 -7.229418158e-01 -9.370084227e-01 4.12 -3.081246776e-01 -6.745337240e-01 -8.701305583e-01 4.14 -2.911423054e-01 -6.305374183e-01 -8.094718479e-01 4.16 -2.755077562e-01 -5.905703734e-01 -7.545230842e-01 4.18 -2.610976291e-01 -5.542611671e-01 -7.047813414e-01 4.20 -2.477966086e-01 -5.212558732e-01 -6.597601157e-01 4.22 -2.354980835e-01 -4.912224068e-01 -6.189966707e-01 4.24 -2.241043747e-01 -4.638531433e-01 -5.820570309e-01 4.26 -2.135266626e-01 -4.388661430e-01 -5.485390416e-01 4.28 -2.036846900e-01 -4.160052995e-01 -5.180738667e-01 4.30 -1.945063088e-01 -3.950396949e-01 -4.903262494e-01 4.32 -1.859269272e-01 -3.757624012e-01 -4.649938177e-01 4.34 -1.778889036e-01 -3.579889255e-01 -4.418056825e-01 4.36 -1.703408763e-01 -3.415554524e-01 -4.205205449e-01 4.38 -1.632373201e-01 -3.263169974e-01 -4.009244932e-01 4.40 -1.565376665e-01 -3.121455635e-01 -3.828286432e-01 4.42 -1.502059354e-01 -2.989283548e-01 -3.660667383e-01 4.44 -1.442101582e-01 -2.865660481e-01 -3.504927968e-01 4.46 -1.385218978e-01 -2.749710657e-01 -3.359788720e-01 4.48 -1.331158122e-01 -2.640667418e-01 -3.224129626e-01 4.50 -1.279692629e-01 -2.537855927e-01 -3.096970579e-01 4.52 -1.230619346e-01 -2.440681005e-01 -2.977451321e-01 4.54 -1.183756462e-01 -2.348617140e-01 -2.864826198e-01 4.56 -1.138938802e-01 -2.261199530e-01 -2.758439436e-01 4.58 -1.096016734e-01 -2.178016152e-01 -2.657716972e-01 4.60 -1.054853646e-01 -2.098700768e-01 -2.562154918e-01 4.62 -1.015324035e-01 -2.022926832e-01 -2.471310409e-01 4.64 -9.773118256e-02 -1.950402198e-01 -2.384793577e-01 4.66 -9.407088820e-02 -1.880864576e-01 -2.302260524e-01 4.68 -9.054137130e-02 -1.814077676e-01 -2.223407212e-01 4.70 -8.713303319e-02 -1.749827977e-01 -2.147964154e-01 4.72 -8.383672735e-02 -1.687922092e-01 -2.075691818e-01 4.74 -8.064367545e-02 -1.628184674e-01 -2.006376653e-01 4.76 -7.754539837e-02 -1.570456857e-01 -1.939827651e-01 4.78 -7.453366123e-02 -1.514595179e-01 -1.875873383e-01 4.80 -7.160043307e-02 -1.460470549e-01 -1.814359433e-01 4.82 -6.873786678e-02 -1.407969799e-01 -1.755146190e-01 4.84 -6.593829731e-02 -1.356993062e-01 -1.698106930e-01 4.86 -6.319426248e-02 -1.307456097e-01 -1.643126167e-01 4.88 -6.049854926e-02 -1.259290296e-01 -1.590098222e-01 4.90 -5.784426909e-02 -1.212443151e-01 -1.538925978e-01 4.92 -5.522496492e-02 -1.166878480e-01 -1.489519806e-01 4.94 -5.263475218e-02 -1.122576193e-01 -1.441796623e-01 4.96 -5.006849325e-02 -1.079531416e-01 -1.395679075e-01 4.98 -4.752200668e-02 -1.037752779e-01 -1.351094820e-01 5.00 -4.499229704e-02 -9.972598160e-02 -1.307975895e-01 5.02 -4.247779868e-02 -9.580795510e-02 -1.266258163e-01 5.04 -3.997861520e-02 -9.202424386e-02 -1.225880813e-01 5.06 -3.749673017e-02 -8.837779904e-02 -1.186785927e-01 5.08 -3.503615975e-02 -8.487100940e-02 -1.148918077e-01 5.10 -3.260301562e-02 -8.150525553e-02 -1.112223973e-01 5.12 -3.020544747e-02 -7.828094526e-02 -1.076652136e-01 5.14 -2.785344175e-02 -7.519710703e-02 -1.042152605e-01 5.16 -2.555840347e-02 -7.225129798e-02 -1.008676659e-01 5.18 -2.333248376e-02 -6.943965849e-02 -9.761765741e-02 5.20 -2.118857765e-02 -6.675705971e-02 -9.446053853e-02 5.22 -1.913929057e-02 -6.419731552e-02 -9.139166794e-02 5.24 -1.719617313e-02 -6.175342836e-02 -8.840643994e-02 5.26 -1.536908225e-02 -5.941784089e-02 -8.550026721e-02 5.28 -1.366566833e-02 -5.718267193e-02 -8.266856577e-02 5.30 -1.209103439e-02 -5.503992189e-02 -7.990674265e-02 5.32 -1.064758989e-02 -5.298164106e-02 -7.721018739e-02 5.34 -9.335096328e-03 -5.100005745e-02 -7.457426590e-02 5.36 -8.150879200e-03 -4.908766918e-02 -7.199431998e-02 5.38 -7.090165446e-03 -4.723730687e-02 -6.946567382e-02 5.40 -6.146498411e-03 -4.544217218e-02 -6.698364715e-02 5.42 -5.312183102e-03 -4.369586033e-02 -6.454357733e-02 5.44 -4.578721462e-03 -4.199237355e-02 -6.214085196e-02 5.46 -3.937207713e-03 -4.032613186e-02 -5.977095389e-02 5.48 -3.378664937e-03 -3.869198627e-02 -5.742952009e-02 5.50 -2.894314317e-03 -3.708523873e-02 -5.511241613e-02 5.52 -2.475776623e-03 -3.550167169e-02 -5.281582685e-02 5.54 -2.115211136e-03 -3.393758872e-02 -5.053634169e-02 5.56 -1.805400596e-03 -3.238986868e-02 -4.827116869e-02 5.58 -1.539792163e-03 -3.085602843e-02 -4.601812991e-02 5.60 -1.312504405e-03 -2.933429370e-02 -4.377590098e-02 5.62 -1.118309481e-03 -2.782367317e-02 -4.154412988e-02 5.64 -9.525984049e-04 -2.632402920e-02 -3.932357190e-02 5.66 -8.113357813e-04 -2.483613659e-02 -3.711620323e-02 5.68 -6.910089511e-04 -2.336172003e-02 -3.492529912e-02 5.70 -5.885752478e-04 -2.190346021e-02 -3.275546201e-02 5.72 -5.014099575e-04 -2.046495908e-02 -3.061258579e-02 5.74 -4.272567022e-04 -1.905065720e-02 -2.850374571e-02 5.76 -3.641813088e-04 -1.766569667e-02 -2.643700469e-02 5.78 -3.105297338e-04 -1.631559422e-02 -2.442093315e-02 5.80 -2.648902493e-04 -1.500627453e-02 -2.246466669e-02 5.82 -2.260598477e-04 -1.374379406e-02 -2.057750027e-02 5.84 -1.930146809e-04 -1.253395960e-02 -1.876832151e-02 5.86 -1.648842482e-04 -1.138206138e-02 -1.704521565e-02 5.88 -1.409289918e-04 -1.029263485e-02 -1.541511246e-02 5.90 -1.205209516e-04 -9.269269297e-03 -1.388350283e-02 5.92 -1.031271321e-04 -8.314476745e-03 -1.245424525e-02 5.94 -8.829524921e-05 -7.429627905e-03 -1.112947228e-02 5.96 -7.564154993e-05 -6.614954858e-03 -9.909596810e-03 5.98 -6.484042753e-05 -5.869613807e-03 -8.793407949e-03 6.00 -5.561558525e-05 -5.191796385e-03 -7.778239600e-03