# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Yang-C-Qi-L--Nb # implementation = 2019--Yang-C--Nb--LAMMPS--ipr1 # composition = Nb # 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 2022-07-07 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan 1.148376907e+04 nan nan nan nan 0.82 nan nan nan nan nan 9.793089159e+03 nan nan nan nan 0.84 nan nan nan nan nan 8.414575014e+03 nan nan 1.156547633e+04 nan 0.86 nan nan nan nan nan 7.295279375e+03 nan nan 9.974840854e+03 nan 0.88 nan nan nan nan nan 6.362558087e+03 nan nan 8.609922253e+03 nan 0.90 nan nan nan nan nan 5.556198755e+03 nan nan 7.430519691e+03 nan 0.92 nan nan nan nan nan 4.857556566e+03 nan nan 6.410772604e+03 nan 0.94 nan 1.017047059e+04 nan nan nan 4.249723018e+03 1.062540026e+04 nan 5.544045982e+03 1.060768141e+04 0.96 nan 8.883408538e+03 nan nan nan 3.718595698e+03 9.293425251e+03 nan 4.816881703e+03 9.270533015e+03 0.98 nan 7.764210040e+03 nan nan nan 3.250745212e+03 8.142459891e+03 nan 4.207897851e+03 8.087212185e+03 1.00 nan 6.794534382e+03 nan nan nan 2.839779767e+03 7.130499401e+03 nan 3.695206509e+03 7.067438158e+03 1.02 nan 5.953250740e+03 1.070413915e+04 nan nan 2.481420050e+03 6.238700604e+03 nan 3.261397041e+03 6.192803555e+03 1.04 1.121799921e+04 5.227642847e+03 9.450280315e+03 1.126613266e+04 1.129712042e+04 2.174542595e+03 5.458814478e+03 9.892417492e+03 2.891943047e+03 5.442909035e+03 1.06 9.919642593e+03 4.599053285e+03 8.350675544e+03 9.977341569e+03 1.001262406e+04 1.911576663e+03 4.776158189e+03 8.759721715e+03 2.574705526e+03 4.809562939e+03 1.08 8.816468806e+03 4.054307365e+03 7.402055203e+03 8.853043806e+03 8.880995473e+03 1.687989714e+03 4.182704876e+03 7.788229748e+03 2.298943237e+03 4.272329389e+03 1.10 7.859262991e+03 3.578302436e+03 6.580409813e+03 7.865339566e+03 7.880547044e+03 1.499286180e+03 3.674271710e+03 6.938955083e+03 2.054853086e+03 3.815039955e+03 1.12 7.018191966e+03 3.163848861e+03 5.862099410e+03 7.001536899e+03 7.002152466e+03 1.337542897e+03 3.245764768e+03 6.186064782e+03 1.836140710e+03 3.419803470e+03 1.14 6.273065270e+03 2.795657279e+03 5.235876825e+03 6.245323595e+03 6.231478331e+03 1.196568056e+03 2.882937495e+03 5.517447027e+03 1.638412387e+03 3.074184266e+03 1.16 5.604428261e+03 2.469086469e+03 4.673132062e+03 5.577503012e+03 5.555718417e+03 1.070037747e+03 2.573777153e+03 4.918304764e+03 1.459096876e+03 2.768148132e+03 1.18 5.005044158e+03 2.179787616e+03 4.155587151e+03 4.985892975e+03 4.964201570e+03 9.534749989e+02 2.307673872e+03 4.378692546e+03 1.296769217e+03 2.496254021e+03 1.20 4.464083790e+03 1.923511921e+03 3.680901919e+03 4.457622297e+03 4.441996430e+03 8.456212835e+02 2.076328200e+03 3.891918138e+03 1.149914414e+03 2.250991380e+03 1.22 3.975055228e+03 1.700067770e+03 3.257516239e+03 3.983192720e+03 3.976704347e+03 7.477149676e+02 1.874217378e+03 3.457110983e+03 1.019111368e+03 2.028061619e+03 1.24 3.540628129e+03 1.506669511e+03 2.886976457e+03 3.557686949e+03 3.560447802e+03 6.622210259e+02 1.694588147e+03 3.073336876e+03 9.032279205e+02 1.826988994e+03 1.26 3.154981218e+03 1.338182395e+03 2.562907061e+03 3.176082057e+03 3.186493814e+03 5.887961243e+02 1.531717173e+03 2.735523795e+03 8.002129230e+02 1.645817661e+03 1.28 2.813720211e+03 1.192033103e+03 2.278805798e+03 2.836018077e+03 2.850960060e+03 5.255142481e+02 1.382877185e+03 2.441143655e+03 7.087155273e+02 1.481632583e+03 1.30 2.518181073e+03 1.066959564e+03 2.035732642e+03 2.535486221e+03 2.550424643e+03 4.717228765e+02 1.245486545e+03 2.186453813e+03 6.280016525e+02 1.335709772e+03 1.32 2.261311044e+03 9.583294514e+02 1.827375397e+03 2.270262464e+03 2.281296559e+03 4.254294011e+02 1.119653889e+03 1.966594308e+03 5.564143541e+02 1.204642417e+03 1.34 2.036598217e+03 8.627464454e+02 1.648208696e+03 2.036619034e+03 2.041315286e+03 3.850519811e+02 1.005559541e+03 1.775703643e+03 4.936869900e+02 1.085188703e+03 1.36 1.838911428e+03 7.797353882e+02 1.493583430e+03 1.832271361e+03 1.830574990e+03 3.493247785e+02 9.025954811e+02 1.608900564e+03 4.394323843e+02 9.759606006e+02 1.38 1.667447894e+03 7.082590729e+02 1.357720018e+03 1.654711512e+03 1.646773290e+03 3.169741048e+02 8.083427726e+02 1.463682726e+03 3.922928742e+02 8.754012487e+02 1.40 1.519080239e+03 6.450057364e+02 1.237758019e+03 1.501297533e+03 1.488184755e+03 2.871414772e+02 7.211478054e+02 1.335412533e+03 3.509936244e+02 7.821446538e+02 1.42 1.388015561e+03 5.866408609e+02 1.132116752e+03 1.367649170e+03 1.351132786e+03 2.600197186e+02 6.404332942e+02 1.219613219e+03 3.148884141e+02 6.964587944e+02 1.44 1.269002737e+03 5.309162740e+02 1.037598805e+03 1.249708366e+03 1.231844853e+03 2.354080574e+02 5.669850380e+02 1.113480943e+03 2.836083567e+02 6.201770545e+02 1.46 1.157912799e+03 4.782900626e+02 9.524748954e+02 1.143946725e+03 1.126864223e+03 2.136026259e+02 5.004593087e+02 1.014919739e+03 2.560702029e+02 5.525156814e+02 1.48 1.056500003e+03 4.292344392e+02 8.748865464e+02 1.048620094e+03 1.034016376e+03 1.945671584e+02 4.407279065e+02 9.242075978e+02 2.313031724e+02 4.937191801e+02 1.50 9.637857399e+02 3.837100323e+02 8.022989244e+02 9.613168195e+02 9.506112974e+02 1.778195496e+02 3.877667380e+02 8.402089010e+02 2.089614425e+02 4.430821552e+02 1.52 8.773499993e+02 3.417192233e+02 7.325676591e+02 8.799335993e+02 8.740316904e+02 1.629348031e+02 3.408798905e+02 7.624038952e+02 1.887240421e+02 3.993002064e+02 1.54 7.977905122e+02 3.032734096e+02 6.657247840e+02 8.037404985e+02 8.024954754e+02 1.495569060e+02 2.999152432e+02 6.906879235e+02 1.702576915e+02 3.615836992e+02 1.56 7.248659493e+02 2.681840056e+02 6.037068808e+02 7.326497199e+02 7.355487206e+02 1.376124498e+02 2.650351085e+02 6.246067281e+02 1.535719172e+02 3.288907057e+02 1.58 6.574271432e+02 2.367033017e+02 5.467086661e+02 6.663840604e+02 6.728002060e+02 1.268313256e+02 2.354810617e+02 5.641904614e+02 1.386832727e+02 2.999182083e+02 1.60 5.953324329e+02 2.091179305e+02 4.938661903e+02 6.048533964e+02 6.138226058e+02 1.169005480e+02 2.105320026e+02 5.092613591e+02 1.252215390e+02 2.740017030e+02 1.62 5.391284649e+02 1.850936168e+02 4.449026755e+02 5.482781384e+02 5.585665411e+02 1.077141283e+02 1.893969405e+02 4.595848530e+02 1.128227436e+02 2.509219433e+02 1.64 4.881991366e+02 1.641367408e+02 4.001106630e+02 4.961802351e+02 5.065233713e+02 9.938323716e+01 1.712888372e+02 4.146001950e+02 1.013525551e+02 2.300631470e+02 1.66 4.417465849e+02 1.457246110e+02 3.590915618e+02 4.483913499e+02 4.576476885e+02 9.176101151e+01 1.556809581e+02 3.738612160e+02 9.086653593e+01 2.108604622e+02 1.68 3.996966611e+02 1.293649923e+02 3.214554474e+02 4.047277661e+02 4.119026501e+02 8.468874362e+01 1.421082224e+02 3.373895250e+02 8.134176515e+01 1.931801323e+02 1.70 3.620890518e+02 1.146128868e+02 2.868576570e+02 3.651132962e+02 3.695337004e+02 7.804590344e+01 1.299758176e+02 3.050068909e+02 7.273292145e+01 1.769587450e+02 1.72 3.283594440e+02 1.012488913e+02 2.549843000e+02 3.296058833e+02 3.313298361e+02 7.173629609e+01 1.190462349e+02 2.763370094e+02 6.493845996e+01 1.617462589e+02 1.74 2.979925735e+02 8.925988106e+01 2.255741037e+02 2.978003168e+02 2.971257298e+02 6.569538880e+01 1.090711290e+02 2.508474780e+02 5.786432094e+01 1.471497416e+02 1.76 2.705643369e+02 7.844042694e+01 1.985999788e+02 2.692609098e+02 2.666115234e+02 5.992001520e+01 9.969991680e+01 2.279884122e+02 5.138100571e+01 1.329512387e+02 1.78 2.462996184e+02 6.868475939e+01 1.748430514e+02 2.438459082e+02 2.396136991e+02 5.454947359e+01 9.079711638e+01 2.076402092e+02 4.544382333e+01 1.196124958e+02 1.80 2.247055416e+02 5.982279133e+01 1.543144635e+02 2.211114731e+02 2.157398261e+02 4.960237352e+01 8.222914462e+01 1.893133037e+02 3.999833033e+01 1.071581599e+02 1.82 2.053136023e+02 5.170952005e+01 1.367056632e+02 2.006365765e+02 1.945607175e+02 4.507078937e+01 7.393191650e+01 1.726181685e+02 3.498169456e+01 9.558093811e+01 1.84 1.876863359e+02 4.423359555e+01 1.216630311e+02 1.822312746e+02 1.758587322e+02 4.094172341e+01 6.590611550e+01 1.572295326e+02 3.041120868e+01 8.485495983e+01 1.86 1.714034412e+02 3.730713974e+01 1.087308955e+02 1.656580557e+02 1.593784153e+02 3.715868473e+01 5.826340628e+01 1.428601166e+02 2.626309885e+01 7.493539705e+01 1.88 1.562801225e+02 3.101072757e+01 9.779079222e+01 1.506330201e+02 1.447424172e+02 3.377850134e+01 5.110481992e+01 1.293376727e+02 2.250402004e+01 6.595816691e+01 1.90 1.421892996e+02 2.534564759e+01 8.859472085e+01 1.369372350e+02 1.316654029e+02 3.078697094e+01 4.437110305e+01 1.164971643e+02 1.910062017e+01 5.794832773e+01 1.92 1.289451559e+02 2.024232713e+01 8.073365079e+01 1.243363607e+02 1.198792904e+02 2.810645257e+01 3.803303052e+01 1.042217238e+02 1.601382802e+01 5.079686000e+01 1.94 1.163622171e+02 1.583009854e+01 7.383443753e+01 1.126004408e+02 1.091208928e+02 2.567191485e+01 3.211188551e+01 9.264717961e+01 1.320234688e+01 4.439316618e+01 1.96 1.042637493e+02 1.224065781e+01 6.758424726e+01 1.015791043e+02 9.919704489e+01 2.342878635e+01 2.666315196e+01 8.176442477e+01 1.065418514e+01 3.863452465e+01 1.98 9.250202907e+01 9.477405666e+00 6.172217265e+01 9.111401290e+01 8.988480964e+01 2.133697187e+01 2.168645268e+01 7.174437717e+01 8.369350253e+00 3.343315654e+01 2.00 8.127995947e+01 7.339670440e+00 5.606382734e+01 8.122951888e+01 8.110506467e+01 1.937471895e+01 1.717269741e+01 6.274403219e+01 6.368425090e+00 2.872344975e+01 2.02 7.120319679e+01 5.682061156e+00 5.046180069e+01 7.222678499e+01 7.301188956e+01 1.752173796e+01 1.310418671e+01 5.478325049e+01 4.625743370e+00 2.446653023e+01 2.04 6.225931361e+01 4.365887723e+00 4.479655128e+01 6.404172220e+01 6.549361991e+01 1.575896672e+01 9.451133901e+00 4.778350654e+01 3.131766806e+00 2.064098485e+01 2.06 5.441675496e+01 3.283332536e+00 3.923742427e+01 5.667781317e+01 5.858874386e+01 1.406969734e+01 6.339209644e+00 4.165705615e+01 1.877372131e+00 1.723197518e+01 2.08 4.761015517e+01 2.359607441e+00 3.377489191e+01 5.007193943e+01 5.223533128e+01 1.244025490e+01 3.933597257e+00 3.629283554e+01 8.270383090e-01 1.420710617e+01 2.10 4.170820373e+01 1.536914176e+00 2.847738324e+01 4.414043644e+01 4.637108087e+01 1.089057151e+01 2.224354795e+00 3.154886433e+01 -5.645312687e-02 1.149977449e+01 2.12 3.656649282e+01 7.729039105e-01 2.361611739e+01 3.884697169e+01 4.099475572e+01 9.504532969e+00 1.028582957e+00 2.735378177e+01 -8.089265188e-01 9.043971996e+00 2.14 3.202898854e+01 4.631022448e-02 1.920598224e+01 3.407272556e+01 3.601960701e+01 8.276683149e+00 1.365917443e-01 2.365520225e+01 -1.457722027e+00 6.778445484e+00 2.16 2.800156261e+01 -6.472531229e-01 1.523944747e+01 2.974054071e+01 3.139645982e+01 7.194588272e+00 -5.812589670e-01 2.034797953e+01 -2.022886131e+00 4.736215506e+00 2.18 2.444439102e+01 -1.308880317e+00 1.170495102e+01 2.581504129e+01 2.711486681e+01 6.244829689e+00 -1.197840943e+00 1.734174925e+01 -2.520731755e+00 2.999324443e+00 2.20 2.125216532e+01 -1.937144102e+00 8.597212224e+00 2.221167493e+01 2.311130220e+01 5.413240383e+00 -1.753386446e+00 1.456094544e+01 -2.957317496e+00 1.532565350e+00 2.22 1.833727123e+01 -2.528056187e+00 5.995756902e+00 1.887931445e+01 1.937109417e+01 4.685282493e+00 -2.268113457e+00 1.195479699e+01 -3.337675643e+00 2.970899413e-01 2.24 1.563748079e+01 -3.075763585e+00 3.929953995e+00 1.581640410e+01 1.595355062e+01 4.045834988e+00 -2.750259542e+00 9.514344965e+00 -3.670760454e+00 -7.392892184e-01 2.26 1.310217029e+01 -3.569523904e+00 2.331539155e+00 1.298066079e+01 1.282497634e+01 3.479836516e+00 -3.200606058e+00 7.266503484e+00 -3.960684449e+00 -1.606012639e+00 2.28 1.068876070e+01 -4.006311743e+00 1.102009453e+00 1.033313182e+01 9.950276026e+00 2.975700323e+00 -3.617047982e+00 5.220446530e+00 -4.205173547e+00 -2.332699712e+00 2.30 8.369657225e+00 -4.390718305e+00 1.442190106e-01 7.850180728e+00 7.313546889e+00 2.531608097e+00 -3.998144181e+00 3.401356378e+00 -4.409635758e+00 -2.944014706e+00 2.32 6.167575618e+00 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