# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Etesami-S-A-Baskes-M-I-Laradji-M-Asadi-E--Pb-Sn # implementation = 2018--Etesami-S-A--Pb-Sn--LAMMPS--ipr1 # composition = PbSn3 # 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 2022-05-24 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 1.486259015e+03 nan nan 0.98 1.379970906e+03 nan nan 1.00 1.282516932e+03 nan nan 1.02 1.193034602e+03 nan nan 1.04 1.110758000e+03 nan nan 1.06 1.035005730e+03 1.406627107e+03 nan 1.08 9.651705176e+02 1.313956583e+03 1.397212677e+03 1.10 9.007102049e+02 1.228386990e+03 1.307349336e+03 1.12 8.411399423e+02 1.149277260e+03 1.224235989e+03 1.14 7.860254095e+02 1.076052908e+03 1.147275076e+03 1.16 7.349769153e+02 1.008198308e+03 1.075929766e+03 1.18 6.876442465e+02 9.452499457e+02 1.009717061e+03 1.20 6.437121719e+02 8.867905215e+02 9.482017773e+02 1.22 6.028965093e+02 8.324437946e+02 8.909912574e+02 1.24 5.649406734e+02 7.818700474e+02 8.377307254e+02 1.26 5.296126469e+02 7.347621050e+02 7.880991970e+02 1.28 4.967023183e+02 6.908418316e+02 7.418058793e+02 1.30 4.660191354e+02 6.498570381e+02 6.985869855e+02 1.32 4.373900352e+02 6.115787517e+02 6.582029183e+02 1.34 4.106576168e+02 5.757988033e+02 6.204357795e+02 1.36 3.856785251e+02 5.423276884e+02 5.850871575e+02 1.38 3.623220175e+02 5.109926698e+02 5.519761614e+02 1.40 3.404686936e+02 4.816360940e+02 5.209376749e+02 1.42 3.200093680e+02 4.541138934e+02 4.918208016e+02 1.44 3.008440655e+02 4.282942517e+02 4.644874754e+02 1.46 2.828811277e+02 4.040564150e+02 4.388112231e+02 1.48 2.660364165e+02 3.812896310e+02 4.146760582e+02 1.50 2.502326025e+02 3.598759115e+02 3.919754896e+02 1.52 2.353985285e+02 3.393958926e+02 3.706116339e+02 1.54 2.214691348e+02 3.197674141e+02 3.504944212e+02 1.56 2.080524083e+02 3.010481331e+02 3.315408798e+02 1.58 1.945953035e+02 2.832667127e+02 3.136744940e+02 1.60 1.813321027e+02 2.664297612e+02 2.968246275e+02 1.62 1.684505048e+02 2.505274811e+02 2.809260028e+02 1.64 1.560813420e+02 2.355381189e+02 2.659182325e+02 1.66 1.443111627e+02 2.214314558e+02 2.517453957e+02 1.68 1.331923158e+02 2.081715290e+02 2.383556571e+02 1.70 1.227510153e+02 1.957187381e+02 2.257009199e+02 1.72 1.129937624e+02 1.840317058e+02 2.137368787e+02 1.74 1.039124416e+02 1.729348490e+02 2.022222511e+02 1.76 9.548834781e+01 1.620610760e+02 1.906311880e+02 1.78 8.769535063e+01 1.514944315e+02 1.791159939e+02 1.80 8.050236396e+01 1.413183645e+02 1.678285917e+02 1.82 7.387525845e+01 1.315897255e+02 1.568808238e+02 1.84 6.777832803e+01 1.223443678e+02 1.463523516e+02 1.86 6.217539974e+01 1.136017272e+02 1.362971741e+02 1.88 5.703066034e+01 1.053685433e+02 1.267489736e+02 1.90 5.230925845e+01 9.764187258e+01 1.177254895e+02 1.92 4.797772953e+01 9.041151547e+01 1.092320834e+02 1.94 4.400428259e+01 8.366196562e+01 1.012646373e+02 1.96 4.035897892e+01 7.737396764e+01 9.381190402e+01 1.98 3.701382794e+01 7.152575251e+01 8.685740173e+01 2.00 3.394281991e+01 6.609401073e+01 8.038093470e+01 2.02 3.112191151e+01 6.105465233e+01 7.435980731e+01 2.04 2.852897640e+01 5.638339303e+01 6.876978556e+01 2.06 2.614373123e+01 5.205619976e+01 6.358585170e+01 2.08 2.394764481e+01 4.804962305e+01 5.878279056e+01 2.10 2.192383630e+01 4.434103830e+01 5.433563846e+01 2.12 2.005696740e+01 4.090881440e+01 5.022002055e+01 2.14 1.833313231e+01 3.773242475e+01 4.641239833e+01 2.16 1.673974784e+01 3.479251274e+01 4.289024462e+01 2.18 1.526544598e+01 3.207092191e+01 3.963216068e+01 2.20 1.389997038e+01 2.955069896e+01 3.661794764e+01 2.22 1.263407766e+01 2.721607585e+01 3.382864153e+01 2.24 1.145944433e+01 2.505243672e+01 3.124652031e+01 2.26 1.036857960e+01 2.304627366e+01 2.885508950e+01 2.28 9.354744472e+00 2.118513482e+01 2.663905140e+01 2.30 8.411876877e+00 1.945756748e+01 2.458426241e+01 2.32 7.534522903e+00 1.785305846e+01 2.267768199e+01 2.34 6.717773960e+00 1.636197317e+01 2.090731597e+01 2.36 5.957209473e+00 1.497549486e+01 1.926215629e+01 2.38 5.248844909e+00 1.368556494e+01 1.773211920e+01 2.40 4.589084803e+00 1.248482512e+01 1.630798313e+01 2.42 3.974680370e+00 1.136656106e+01 1.498132723e+01 2.44 3.402691388e+00 1.032463646e+01 1.374447154e+01 2.46 2.870452023e+00 9.353427589e+00 1.259041925e+01 2.48 2.375540207e+00 8.447780336e+00 1.151280155e+01 2.50 1.915748467e+00 7.602972802e+00 1.050582527e+01 2.52 1.489032564e+00 6.814680001e+00 9.564223616e+00 2.54 1.093461863e+00 6.078940726e+00 8.683209973e+00 2.56 7.272086094e-01 5.392126609e+00 7.858434788e+00 2.58 3.885427214e-01 4.750913384e+00 7.085945642e+00 2.60 7.582683550e-02 4.152254258e+00 6.362150289e+00 2.62 -2.124884047e-01 3.593355286e+00 5.683782592e+00 2.64 -4.778688292e-01 3.071652737e+00 5.047871275e+00 2.66 -7.217010008e-01 2.584792306e+00 4.451711323e+00 2.68 -9.452962647e-01 2.130610042e+00 3.892837839e+00 2.70 -1.149894599e+00 1.707114933e+00 3.369002244e+00 2.72 -1.336668276e+00 1.312473012e+00 2.878150667e+00 2.74 -1.506725339e+00 9.449928674e-01 2.418404312e+00 2.76 -1.661112911e+00 6.031124559e-01 1.988041691e+00 2.78 -1.800820339e+00 2.853871215e-01 1.585482550e+00 2.80 -1.926782179e+00 -9.524169812e-03 1.209269046e+00 2.82 -2.039881034e+00 -2.828844244e-01 8.580290644e-01 2.84 -2.140950255e+00 -5.358934538e-01 5.304556171e-01 2.86 -2.230776503e+00 -7.696912998e-01 2.253032541e-01 2.88 -2.310102179e+00 -9.853610377e-01 -5.861466131e-02 2.90 -2.379627747e+00 -1.183931453e+00 -3.224285638e-01 2.92 -2.440013921e+00 -1.366379595e+00 -5.672151851e-01 2.94 -2.491883761e+00 -1.533633218e+00 -7.939999464e-01 2.96 -2.535824652e+00 -1.686573110e+00 -1.003759248e+00 2.98 -2.572390185e+00 -1.826035313e+00 -1.197422664e+00 3.00 -2.602101959e+00 -1.952813251e+00 -1.375875038e+00 3.02 -2.625458058e+00 -2.067659750e+00 -1.539958492e+00 3.04 -2.642956823e+00 -2.171288972e+00 -1.690474351e+00 3.06 -2.654965878e+00 -2.264378263e+00 -1.828184980e+00 3.08 -2.661891741e+00 -2.347569914e+00 -1.953815545e+00 3.10 -2.664148476e+00 -2.421472837e+00 -2.068055697e+00 3.12 -2.662098430e+00 -2.486664172e+00 -2.171561186e+00 3.14 -2.656082169e+00 -2.543690816e+00 -2.264955421e+00 3.16 -2.646419660e+00 -2.593070882e+00 -2.348831061e+00 3.18 -2.633411387e+00 -2.635295092e+00 -2.423750960e+00 3.20 -2.617339414e+00 -2.670828103e+00 -2.490249791e+00 3.22 -2.598468390e+00 -2.700109780e+00 -2.548835847e+00 3.24 -2.577046505e+00 -2.723556396e+00 -2.599991599e+00 3.26 -2.553306393e+00 -2.741561791e+00 -2.644175099e+00 3.28 -2.527465997e+00 -2.754498468e+00 -2.681821106e+00 3.30 -2.499729376e+00 -2.762718643e+00 -2.713342176e+00 3.32 -2.470287480e+00 -2.766555240e+00 -2.739129682e+00 3.34 -2.439318884e+00 -2.766322851e+00 -2.759554810e+00 3.36 -2.406990479e+00 -2.762318637e+00 -2.774969501e+00 3.38 -2.373458132e+00 -2.754823198e+00 -2.785707347e+00 3.40 -2.338867306e+00 -2.744101396e+00 -2.792084463e+00 3.42 -2.303353654e+00 -2.730403145e+00 -2.794400300e+00 3.44 -2.267043574e+00 -2.713964157e+00 -2.792938443e+00 3.46 -2.230054746e+00 -2.695006657e+00 -2.787967354e+00 3.48 -2.192496624e+00 -2.673740065e+00 -2.779741098e+00 3.50 -2.154470923e+00 -2.650361643e+00 -2.768500026e+00 3.52 -2.116072058e+00 -2.625057115e+00 -2.754471432e+00 3.54 -2.077387577e+00 -2.598001253e+00 -2.737870182e+00 3.56 -2.038498562e+00 -2.569358437e+00 -2.718899308e+00 3.58 -1.999480012e+00 -2.539283192e+00 -2.697750586e+00 3.60 -1.960401202e+00 -2.507920694e+00 -2.674605075e+00 3.62 -1.921326027e+00 -2.475407252e+00 -2.649633644e+00 3.64 -1.882313324e+00 -2.441870775e+00 -2.622997469e+00 3.66 -1.843417177e+00 -2.407431204e+00 -2.594848506e+00 3.68 -1.804687210e+00 -2.372200932e+00 -2.565329945e+00 3.70 -1.766168854e+00 -2.336285202e+00 -2.534576647e+00 3.72 -1.727903613e+00 -2.299782486e+00 -2.502715550e+00 3.74 -1.689929300e+00 -2.262784840e+00 -2.469866070e+00 3.76 -1.652280275e+00 -2.225378253e+00 -2.436140477e+00 3.78 -1.614987658e+00 -2.187642967e+00 -2.401644247e+00 3.80 -1.578079538e+00 -2.149653789e+00 -2.366476413e+00 3.82 -1.541581165e+00 -2.111480386e+00 -2.330729888e+00 3.84 -1.505515137e+00 -2.073187563e+00 -2.294491263e+00 3.86 -1.469901566e+00 -2.034835532e+00 -2.257837013e+00 3.88 -1.434758252e+00 -1.996480162e+00 -2.220837707e+00 3.90 -1.400100826e+00 -1.958173221e+00 -2.183588509e+00 3.92 -1.365942905e+00 -1.919962606e+00 -2.146149144e+00 3.94 -1.332296222e+00 -1.881892558e+00 -2.108576572e+00 3.96 -1.299170759e+00 -1.844003868e+00 -2.070928816e+00 3.98 -1.266574867e+00 -1.806334075e+00 -2.033259902e+00 4.00 -1.234515382e+00 -1.768917650e+00 -1.995620067e+00 4.02 -1.202997733e+00 -1.731786174e+00 -1.958055969e+00 4.04 -1.172026040e+00 -1.694968507e+00 -1.920610870e+00 4.06 -1.141603215e+00 -1.658490942e+00 -1.883324827e+00 4.08 -1.111731049e+00 -1.622377364e+00 -1.846234862e+00 4.10 -1.082410297e+00 -1.586649385e+00 -1.809375131e+00 4.12 -1.053640755e+00 -1.551326487e+00 -1.772777081e+00 4.14 -1.025421341e+00 -1.516426145e+00 -1.736469598e+00 4.16 -9.977501589e-01 -1.481963954e+00 -1.700479156e+00 4.18 -9.706245673e-01 -1.447953744e+00 -1.664829948e+00 4.20 -9.440412406e-01 -1.414407685e+00 -1.629544016e+00 4.22 -9.179962273e-01 -1.381336399e+00 -1.594641378e+00 4.24 -8.924850039e-01 -1.348749052e+00 -1.560140142e+00 4.26 -8.675025259e-01 -1.316653451e+00 -1.526056617e+00 4.28 -8.430432757e-01 -1.285056132e+00 -1.492405420e+00 4.30 -8.191013070e-01 -1.253962440e+00 -1.459199578e+00 4.32 -7.956702866e-01 -1.223376615e+00 -1.426450619e+00 4.34 -7.727435335e-01 -1.193301860e+00 -1.394168668e+00 4.36 -7.503140554e-01 -1.163740417e+00 -1.362362529e+00 4.38 -7.283745827e-01 -1.134693632e+00 -1.331039769e+00 4.40 -7.069176006e-01 -1.106162016e+00 -1.300206796e+00 4.42 -6.858814862e-01 -1.078145309e+00 -1.269868928e+00 4.44 -6.620965690e-01 -1.050642535e+00 -1.240030471e+00 4.46 -6.235626021e-01 -1.023652054e+00 -1.210694777e+00 4.48 -5.672419289e-01 -9.971716145e-01 -1.181864312e+00 4.50 -5.384064248e-01 -9.711983987e-01 -1.153540714e+00 4.52 -5.215930279e-01 -9.457290698e-01 -1.125724847e+00 4.54 -5.051275626e-01 -9.207598130e-01 -1.098416858e+00 4.56 -4.890031716e-01 -8.962863757e-01 -1.071616228e+00 4.58 -4.732129325e-01 -8.723041051e-01 -1.045321814e+00 4.60 -4.577498747e-01 -8.488079839e-01 -1.019531900e+00 4.62 -4.426069972e-01 -8.257926633e-01 -9.942442396e-01 4.64 -4.277772856e-01 -8.032524948e-01 -9.694560921e-01 4.66 -4.132537296e-01 -7.811815597e-01 -9.451642649e-01 4.68 -3.990293410e-01 -7.595733642e-01 -9.213651480e-01 4.70 -3.850971725e-01 -7.377394315e-01 -8.980547485e-01 4.72 -3.714503366e-01 -7.100497747e-01 -8.752287225e-01 4.74 -3.580820269e-01 -6.666490801e-01 -8.528824058e-01 4.76 -3.449855394e-01 -6.158647056e-01 -8.310108425e-01 4.78 -3.321542963e-01 -5.968236011e-01 -8.096088119e-01 4.80 -3.195818713e-01 -5.794388580e-01 -7.886708540e-01 4.82 -3.072620172e-01 -5.624302975e-01 -7.681912936e-01 4.84 -2.952105522e-01 -5.457909586e-01 -7.481642627e-01 4.86 -2.851944994e-01 -5.295138831e-01 -7.285837220e-01 4.88 -2.862518446e-01 -5.135921280e-01 -7.094434802e-01 4.90 -2.912043609e-01 -4.980187774e-01 -6.907372134e-01 4.92 -2.262527183e-01 -4.827869531e-01 -6.724584825e-01 4.94 -2.200789836e-01 -4.678898264e-01 -6.546007493e-01 4.96 -2.140587198e-01 -4.533206288e-01 -6.371573926e-01 4.98 -2.081888001e-01 -4.390726626e-01 -6.201217219e-01 5.00 -2.024661269e-01 -4.251393118e-01 -6.034869917e-01 5.02 -1.968876332e-01 -4.115140528e-01 -5.872464135e-01 5.04 -1.914502848e-01 -3.981904650e-01 -5.713931682e-01 5.06 -1.861510815e-01 -3.851622420e-01 -5.559204166e-01 5.08 -1.809870586e-01 -3.724232026e-01 -5.408213099e-01 5.10 -1.759552883e-01 -3.599673021e-01 -5.260889993e-01 5.12 -1.710528806e-01 -3.477886437e-01 -5.117166447e-01 5.14 -1.662769841e-01 -3.358814912e-01 -4.976974231e-01 5.16 -1.616247876e-01 -3.242402806e-01 -4.840245363e-01 5.18 -1.570935199e-01 -3.128596330e-01 -4.706912177e-01 5.20 -1.526804512e-01 -3.017343681e-01 -4.576907389e-01 5.22 -1.483828934e-01 -2.908595173e-01 -4.450164160e-01 5.24 -1.441982005e-01 -2.802303378e-01 -4.326616147e-01 5.26 -1.401237691e-01 -2.698423266e-01 -4.206197557e-01 5.28 -1.361570385e-01 -2.596912351e-01 -4.088843193e-01 5.30 -1.322954912e-01 -2.497730831e-01 -3.974488494e-01 5.32 -1.285366530e-01 -2.400841737e-01 -3.863069576e-01 5.34 -1.248780928e-01 -2.306211068e-01 -3.754523267e-01 5.36 -1.213174232e-01 -2.213807926e-01 -3.648787137e-01 5.38 -1.178522999e-01 -2.123604641e-01 -3.545799528e-01 5.40 -1.144804219e-01 -2.035576884e-01 -3.445499578e-01 5.42 -1.109125224e-01 -1.944942055e-01 -3.340216661e-01 5.44 -1.035681455e-01 -1.793249645e-01 -3.134447435e-01 5.46 -8.367480844e-02 -1.439463167e-01 -2.584535336e-01 5.48 -4.259190765e-02 -7.396416485e-02 -1.391640253e-01 5.50 -1.769526260e-23 -8.656755464e-23 -1.491419790e-22 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00