# 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 = PbTa3 # 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 5.462300085e+02 nan nan 1.16 5.061277518e+02 nan nan 1.18 4.691626765e+02 nan nan 1.20 4.350677554e+02 nan nan 1.22 4.035965551e+02 nan nan 1.24 3.745218313e+02 nan nan 1.26 3.476351698e+02 nan nan 1.28 3.227462473e+02 4.798002408e+02 5.433790266e+02 1.30 2.996817192e+02 4.475730094e+02 5.075651641e+02 1.32 2.782843265e+02 4.176332324e+02 4.742542702e+02 1.34 2.584125547e+02 3.898045153e+02 4.432486546e+02 1.36 2.399406556e+02 3.639184702e+02 4.143631487e+02 1.38 2.227585673e+02 3.398162823e+02 3.874281946e+02 1.40 2.067711109e+02 3.173516121e+02 3.622921362e+02 1.42 1.918958388e+02 2.963927941e+02 3.388216514e+02 1.44 1.780594519e+02 2.768233750e+02 3.169001110e+02 1.46 1.651936689e+02 2.585411017e+02 2.964240834e+02 1.48 1.532320693e+02 2.414559342e+02 2.772988186e+02 1.50 1.421089346e+02 2.254875505e+02 2.594342660e+02 1.52 1.317598833e+02 2.105626932e+02 2.427429367e+02 1.54 1.221233215e+02 1.966127874e+02 2.271398407e+02 1.56 1.131418142e+02 1.835723296e+02 2.125436928e+02 1.58 1.047630165e+02 1.713783377e+02 1.988783961e+02 1.60 9.694014285e+01 1.599707024e+02 1.860741748e+02 1.62 8.963205025e+01 1.492929712e+02 1.740680990e+02 1.64 8.280294784e+01 1.392930374e+02 1.628039988e+02 1.66 7.642172108e+01 1.299234452e+02 1.522318998e+02 1.68 7.046089990e+01 1.211412369e+02 1.423071486e+02 1.70 6.489546180e+01 1.129074515e+02 1.329893870e+02 1.72 5.970177986e+01 1.051864313e+02 1.242415070e+02 1.74 5.485697940e+01 9.794510032e+01 1.160287343e+02 1.76 5.033874957e+01 9.115235211e+01 1.083179710e+02 1.78 4.612544933e+01 8.477863726e+01 1.010774890e+02 1.80 4.220415998e+01 7.879579267e+01 9.427695043e+01 1.82 3.856286136e+01 7.317709191e+01 8.788763359e+01 1.84 3.518454317e+01 6.789744014e+01 8.188269224e+01 1.86 3.205401679e+01 6.293359991e+01 7.623730625e+01 1.88 2.915303730e+01 5.826437764e+01 7.092866678e+01 1.90 2.646457790e+01 5.387070215e+01 6.593579594e+01 1.92 2.397280671e+01 4.973558850e+01 6.123926840e+01 1.94 2.166305145e+01 4.584406781e+01 5.682090297e+01 1.96 1.952175032e+01 4.218952856e+01 5.266349184e+01 1.98 1.753637769e+01 3.876734533e+01 4.875061874e+01 2.00 1.569534346e+01 3.556861108e+01 4.506686249e+01 2.02 1.398789121e+01 3.258683876e+01 4.160593633e+01 2.04 1.240402488e+01 2.980998483e+01 3.835704423e+01 2.06 1.093449020e+01 2.722574483e+01 3.530657272e+01 2.08 9.570799848e+00 2.482183282e+01 3.244624776e+01 2.10 8.305270007e+00 2.258614715e+01 2.976528334e+01 2.12 7.131020291e+00 2.050699097e+01 2.725288963e+01 2.14 6.041908402e+00 1.857327593e+01 2.489937452e+01 2.16 5.032405396e+00 1.677466382e+01 2.269598641e+01 2.18 4.097443772e+00 1.510163083e+01 2.063471200e+01 2.20 3.232285011e+00 1.354545637e+01 1.870805085e+01 2.22 2.432426451e+00 1.209816215e+01 1.690880856e+01 2.24 1.693558989e+00 1.075241651e+01 1.522993784e+01 2.26 1.011561925e+00 9.501424604e+00 1.366446084e+01 2.28 3.825188175e-01 8.338817349e+00 1.220547667e+01 2.30 -1.972622298e-01 7.258557647e+00 1.084622828e+01 2.32 -7.312322716e-01 6.254868574e+00 9.580203347e+00 2.34 -1.222595475e+00 5.322204826e+00 8.401226822e+00 2.36 -1.674316532e+00 4.455259280e+00 7.303524980e+00 2.38 -2.089130324e+00 3.649005360e+00 6.281750510e+00 2.40 -2.469563498e+00 2.898755910e+00 5.330977035e+00 2.42 -2.817951310e+00 2.200219486e+00 4.446669427e+00 2.44 -3.136454347e+00 1.549534165e+00 3.624646465e+00 2.46 -3.427071990e+00 9.432725207e-01 2.861043082e+00 2.48 -3.691625910e+00 3.784157066e-01 2.152276539e+00 2.50 -3.931566626e+00 -1.476943845e-01 1.495018454e+00 2.52 -4.148618862e+00 -6.374140304e-01 8.861669738e-01 2.54 -4.344465057e+00 -1.092857280e+00 3.228227356e-01 2.56 -4.520626485e+00 -1.515948867e+00 -1.977374699e-01 2.58 -4.678473399e+00 -1.908466667e+00 -6.780879251e-01 2.60 -4.819236815e+00 -2.272072967e+00 -1.120681933e+00 2.62 -4.944019025e+00 -2.608335340e+00 -1.527878454e+00 2.64 -5.053807833e+00 -2.918741881e+00 -1.901967561e+00 2.66 -5.149342474e+00 -3.204705867e+00 -2.245184564e+00 2.68 -5.230807408e+00 -3.467570885e+00 -2.559719601e+00 2.70 -5.298329341e+00 -3.708478541e+00 -2.847713066e+00 2.72 -5.352096760e+00 -3.928603210e+00 -3.111240222e+00 2.74 -5.392352655e+00 -4.129186661e+00 -3.352287009e+00 2.76 -5.419387173e+00 -4.311480736e+00 -3.572721853e+00 2.78 -5.433529262e+00 -4.476644301e+00 -3.774129672e+00 2.80 -5.435136975e+00 -4.625747187e+00 -3.957949092e+00 2.82 -5.424586121e+00 -4.759778395e+00 -4.125830724e+00 2.84 -5.402258904e+00 -4.879654642e+00 -4.279216854e+00 2.86 -5.368533694e+00 -4.986229872e+00 -4.419350062e+00 2.88 -5.323778163e+00 -5.080199816e+00 -4.547299996e+00 2.90 -5.268347666e+00 -5.161971879e+00 -4.663992646e+00 2.92 -5.202589416e+00 -5.231847037e+00 -4.770238355e+00 2.94 -5.126859124e+00 -5.290093888e+00 -4.866755134e+00 2.96 -5.041534607e+00 -5.337026202e+00 -4.954015516e+00 2.98 -4.947046440e+00 -5.372993956e+00 -5.032132182e+00 3.00 -4.843906585e+00 -5.398371344e+00 -5.101237158e+00 3.02 -4.732738451e+00 -5.413545152e+00 -5.161521434e+00 3.04 -4.614302571e+00 -5.418903706e+00 -5.213217304e+00 3.06 -4.489512751e+00 -5.414830402e+00 -5.256584172e+00 3.08 -4.359437720e+00 -5.401694138e+00 -5.291896195e+00 3.10 -4.225284525e+00 -5.379848942e+00 -5.319431565e+00 3.12 -4.088362290e+00 -5.349633368e+00 -5.339463310e+00 3.14 -3.950028198e+00 -5.311377423e+00 -5.352251646e+00 3.16 -3.811621011e+00 -5.265405845e+00 -5.358037982e+00 3.18 -3.674390273e+00 -5.212050915e+00 -5.357040693e+00 3.20 -3.539430625e+00 -5.151662743e+00 -5.349452745e+00 3.22 -3.407630037e+00 -5.084620193e+00 -5.335441424e+00 3.24 -3.279638286e+00 -5.011340184e+00 -5.315149494e+00 3.26 -3.155911625e+00 -4.932283869e+00 -5.288698421e+00 3.28 -3.036594414e+00 -4.847958311e+00 -5.256192659e+00 3.30 -2.921502758e+00 -4.758912607e+00 -5.217724819e+00 3.32 -2.810315669e+00 -4.665727948e+00 -5.173381098e+00 3.34 -2.702628646e+00 -4.569001946e+00 -5.123246407e+00 3.36 -2.597951755e+00 -4.469328522e+00 -5.067408635e+00 3.38 -2.495763128e+00 -4.367275502e+00 -5.005961658e+00 3.40 -2.395624145e+00 -4.263362463e+00 -4.939006827e+00 3.42 -2.297214026e+00 -4.158041962e+00 -4.866652913e+00 3.44 -2.200351320e+00 -4.051684972e+00 -4.789014668e+00 3.46 -2.104983905e+00 -3.944573521e+00 -4.706210330e+00 3.48 -2.011178916e+00 -3.836899491e+00 -4.618358537e+00 3.50 -1.919093052e+00 -3.728791623e+00 -4.525574191e+00 3.52 -1.828938007e+00 -3.620309526e+00 -4.427970181e+00 3.54 -1.740944821e+00 -3.511347858e+00 -4.325649437e+00 3.56 -1.655332153e+00 -3.401768413e+00 -4.218710414e+00 3.58 -1.572282146e+00 -3.291421175e+00 -4.107249230e+00 3.60 -1.491925795e+00 -3.180159318e+00 -3.991366212e+00 3.62 -1.414337992e+00 -3.067850054e+00 -3.871175768e+00 3.64 -1.339540945e+00 -2.954365573e+00 -3.746837401e+00 3.66 -1.267513772e+00 -2.839622077e+00 -3.618578882e+00 3.68 -1.198205701e+00 -2.723608529e+00 -3.486544571e+00 3.70 -1.131550377e+00 -2.606399945e+00 -3.350950089e+00 3.72 -1.067479210e+00 -2.488168239e+00 -3.212117286e+00 3.74 -1.005932256e+00 -2.369189186e+00 -3.070485261e+00 3.76 -9.468656944e-01 -2.249844133e+00 -2.926572807e+00 3.78 -8.902555579e-01 -2.130615308e+00 -2.780994858e+00 3.80 -8.360978211e-01 -2.012074045e+00 -2.634500208e+00 3.82 -7.844053316e-01 -1.894861946e+00 -2.487956725e+00 3.84 -7.352023524e-01 -1.779665811e+00 -2.342324726e+00 3.86 -6.885176374e-01 -1.667188031e+00 -2.198621034e+00 3.88 -6.443770137e-01 -1.558114786e+00 -2.057876367e+00 3.90 -6.027963810e-01 -1.453084819e+00 -1.921089787e+00 3.92 -5.637754731e-01 -1.352661017e+00 -1.789183987e+00 3.94 -5.272953298e-01 -1.257310086e+00 -1.662968609e+00 3.96 -4.933134902e-01 -1.167384356e+00 -1.543107077e+00 3.98 -4.617654594e-01 -1.083116800e+00 -1.430099841e+00 4.00 -4.325655866e-01 -1.004620979e+00 -1.324276380e+00 4.02 -4.056096894e-01 -9.318982600e-01 -1.225798677e+00 4.04 -3.807779745e-01 -8.648501954e-01 -1.134673800e+00 4.06 -3.579410643e-01 -8.032943080e-01 -1.050773174e+00 4.08 -3.369628260e-01 -7.469815408e-01 -9.738559151e-01 4.10 -3.177039151e-01 -6.956124254e-01 -9.035937924e-01 4.12 -3.000253391e-01 -6.488595980e-01 -8.395957512e-01 4.14 -2.837913751e-01 -6.063731307e-01 -7.814305111e-01 4.16 -2.688718305e-01 -5.677995266e-01 -7.286462650e-01 4.18 -2.551436778e-01 -5.327899331e-01 -6.807870081e-01 4.20 -2.424921301e-01 -5.010077131e-01 -6.374054018e-01 4.22 -2.308112392e-01 -4.721338454e-01 -5.980723534e-01 4.24 -2.200041031e-01 -4.458704542e-01 -5.623836567e-01 4.26 -2.099827748e-01 -4.219427967e-01 -5.299641293e-01 4.28 -2.006679478e-01 -4.001000345e-01 -5.004697045e-01 4.30 -1.919884885e-01 -3.801150896e-01 -4.735879208e-01 4.32 -1.838808714e-01 -3.617838320e-01 -4.490372197e-01 4.34 -1.762885629e-01 -3.449238296e-01 -4.265654074e-01 4.36 -1.691606754e-01 -3.293728313e-01 -4.059475883e-01 4.38 -1.624543076e-01 -3.149870926e-01 -3.869838197e-01 4.40 -1.561292834e-01 -3.016396554e-01 -3.694966796e-01 4.42 -1.501508473e-01 -2.892186594e-01 -3.533288883e-01 4.44 -1.444882791e-01 -2.776256275e-01 -3.383410934e-01 4.46 -1.391144151e-01 -2.667734974e-01 -3.244098480e-01 4.48 -1.340052154e-01 -2.565868591e-01 -3.114257945e-01 4.50 -1.291393763e-01 -2.469995390e-01 -2.992920703e-01 4.52 -1.244974274e-01 -2.379532955e-01 -2.879212441e-01 4.54 -1.200637536e-01 -2.293968960e-01 -2.772404728e-01 4.56 -1.158226771e-01 -2.212852667e-01 -2.671805786e-01 4.58 -1.117607735e-01 -2.135787233e-01 -2.576827363e-01 4.60 -1.078659926e-01 -2.062422831e-01 -2.486947486e-01 4.62 -1.041274781e-01 -1.992450557e-01 -2.401703873e-01 4.64 -1.005354102e-01 -1.925597071e-01 -2.320687619e-01 4.66 -9.708086867e-02 -1.861619902e-01 -2.243537261e-01 4.68 -9.375571337e-02 -1.800303354e-01 -2.169933291e-01 4.70 -9.055248037e-02 -1.741454946e-01 -2.099593161e-01 4.72 -8.746429136e-02 -1.684902318e-01 -2.032266763e-01 4.74 -8.448477474e-02 -1.630490557e-01 -1.967732395e-01 4.76 -8.160799673e-02 -1.578079883e-01 -1.905793175e-01 4.78 -7.882840139e-02 -1.527543655e-01 -1.846273876e-01 4.80 -7.614075867e-02 -1.478758694e-01 -1.789018143e-01 4.82 -7.354011683e-02 -1.431636937e-01 -1.733886060e-01 4.84 -7.102176326e-02 -1.386072383e-01 -1.680752032e-01 4.86 -6.858118989e-02 -1.341976161e-01 -1.629502938e-01 4.88 -6.621406301e-02 -1.299266166e-01 -1.580036527e-01 4.90 -6.391619750e-02 -1.257866328e-01 -1.532260036e-01 4.92 -6.168353510e-02 -1.217706039e-01 -1.486088982e-01 4.94 -5.951212671e-02 -1.178719709e-01 -1.441446124e-01 4.96 -5.739811868e-02 -1.140846445e-01 -1.398260565e-01 4.98 -5.533774337e-02 -1.104029846e-01 -1.356466970e-01 5.00 -5.332731399e-02 -1.068217902e-01 -1.316004894e-01 5.02 -5.136322398e-02 -1.033362991e-01 -1.276818193e-01 5.04 -4.944195302e-02 -9.994219480e-02 -1.238854524e-01 5.06 -4.756007789e-02 -9.663562060e-02 -1.202064894e-01 5.08 -4.571428901e-02 -9.341319780e-02 -1.166403285e-01 5.10 -4.390141470e-02 -9.027204388e-02 -1.131826313e-01 5.12 -4.211845293e-02 -8.720978851e-02 -1.098292937e-01 5.14 -4.036261088e-02 -8.422458328e-02 -1.065764198e-01 5.16 -3.863135230e-02 -8.131510077e-02 -1.034202998e-01 5.18 -3.692245232e-02 -7.848051884e-02 -1.003573893e-01 5.20 -3.523405869e-02 -7.572048653e-02 -9.738429182e-02 5.22 -3.356475764e-02 -7.303506928e-02 -9.449774269e-02 5.24 -3.191364175e-02 -7.042467254e-02 -9.169459498e-02 5.26 -3.028037611e-02 -6.788993297e-02 -8.897180653e-02 5.28 -2.866525819e-02 -6.543154080e-02 -8.632642835e-02 5.30 -2.706926560e-02 -6.305030280e-02 -8.375559408e-02 5.32 -2.549401643e-02 -6.074692874e-02 -8.125651030e-02 5.34 -2.394178861e-02 -5.852188456e-02 -7.882644784e-02 5.36 -2.241571790e-02 -5.637528768e-02 -7.646273406e-02 5.38 -2.091957349e-02 -5.430682349e-02 -7.416274411e-02 5.40 -1.945765510e-02 -5.231569047e-02 -7.192389487e-02 5.42 -1.803465943e-02 -5.040057478e-02 -6.974363890e-02 5.44 -1.665551461e-02 -4.855965390e-02 -6.761945892e-02 5.46 -1.532519059e-02 -4.679062653e-02 -6.554886296e-02 5.48 -1.404849655e-02 -4.509076372e-02 -6.352938030e-02 5.50 -1.282987869e-02 -4.345697505e-02 -6.155855813e-02 5.52 -1.167323240e-02 -4.188588373e-02 -5.963395933e-02 5.54 -1.058174219e-02 -4.037390450e-02 -5.775275557e-02 5.56 -9.557760016e-03 -3.891731974e-02 -5.591340703e-02 5.58 -8.602729244e-03 -3.751234984e-02 -5.411305096e-02 5.60 -7.717157024e-03 -3.615521565e-02 -5.234931613e-02 5.62 -6.900633449e-03 -3.484219205e-02 -5.061985606e-02 5.64 -6.151892051e-03 -3.356965304e-02 -4.892235785e-02 5.66 -5.468903358e-03 -3.233410737e-02 -4.725455197e-02 5.68 -4.848991703e-03 -3.113222747e-02 -4.561422572e-02 5.70 -4.288965060e-03 -2.996087272e-02 -4.399924018e-02 5.72 -3.785248438e-03 -2.881710862e-02 -4.240755065e-02 5.74 -3.334012853e-03 -2.769822338e-02 -4.083723090e-02 5.76 -2.931293767e-03 -2.660174304e-02 -3.928650122e-02 5.78 -2.573094882e-03 -2.552544636e-02 -3.775376012e-02 5.80 -2.255475092e-03 -2.446738003e-02 -3.623761948e-02 5.82 -1.974617935e-03 -2.342587450e-02 -3.473694219e-02 5.84 -1.726884162e-03 -2.239956049e-02 -3.325088162e-02 5.86 -1.508848839e-03 -2.138738549e-02 -3.177892134e-02 5.88 -1.317324953e-03 -2.038862952e-02 -3.032091317e-02 5.90 -1.149375691e-03 -1.940291879e-02 -2.887711163e-02 5.92 -1.002317586e-03 -1.843023568e-02 -2.744820182e-02 5.94 -8.737166006e-04 -1.747090835e-02 -2.603529592e-02 5.96 -7.613789876e-04 -1.652555402e-02 -2.463985884e-02 5.98 -6.633385053e-04 -1.559522580e-02 -2.326393848e-02 6.00 -5.778413062e-04 -1.468131561e-02 -2.191002895e-02