# 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 = Pb3W # 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 6.023687523e+02 nan nan 1.16 5.596191517e+02 nan nan 1.18 5.201215185e+02 nan nan 1.20 4.835899066e+02 nan nan 1.22 4.497629148e+02 nan nan 1.24 4.184064914e+02 nan nan 1.26 3.893167352e+02 nan nan 1.28 3.623185235e+02 5.315507016e+02 5.987976075e+02 1.30 3.372591000e+02 4.970200188e+02 5.604747707e+02 1.32 3.139994152e+02 4.648382429e+02 5.247857051e+02 1.34 2.924072912e+02 4.348361511e+02 4.915447589e+02 1.36 2.723545235e+02 4.068648132e+02 4.605757995e+02 1.38 2.537176151e+02 3.807890435e+02 4.317082737e+02 1.40 2.363801504e+02 3.564814596e+02 4.047779537e+02 1.42 2.202351163e+02 3.338186422e+02 3.796299612e+02 1.44 2.051863870e+02 3.126800843e+02 3.561216958e+02 1.46 1.911493194e+02 2.929493907e+02 3.341245223e+02 1.48 1.780503666e+02 2.745164397e+02 3.135241697e+02 1.50 1.658256514e+02 2.572792648e+02 2.942201083e+02 1.52 1.544186972e+02 2.411449665e+02 2.761241249e+02 1.54 1.437777336e+02 2.260296601e+02 2.591582708e+02 1.56 1.338533529e+02 2.118578071e+02 2.432522691e+02 1.58 1.245971152e+02 1.985612854e+02 2.283408455e+02 1.60 1.159613640e+02 1.860783982e+02 2.143616046e+02 1.62 1.078999467e+02 1.743529833e+02 2.012538993e+02 1.64 1.003697573e+02 1.633336804e+02 1.889587653e+02 1.66 9.333071992e+01 1.529734402e+02 1.774195267e+02 1.68 8.674593699e+01 1.432292329e+02 1.665825377e+02 1.70 8.059319568e+01 1.340618674e+02 1.563977273e+02 1.72 7.485348901e+01 1.254358580e+02 1.468188015e+02 1.74 6.949676875e+01 1.173192458e+02 1.378032216e+02 1.76 6.449568385e+01 1.096833371e+02 1.293120362e+02 1.78 5.982539484e+01 1.025025302e+02 1.213096571e+02 1.80 5.546336311e+01 9.575363906e+01 1.137635476e+02 1.82 5.138913079e+01 8.941450545e+01 1.066440748e+02 1.84 4.758411647e+01 8.346838243e+01 9.992435034e+01 1.86 4.403141884e+01 7.790730929e+01 9.357921188e+01 1.88 4.071562279e+01 7.271197252e+01 8.758561630e+01 1.90 3.762256522e+01 6.785845393e+01 8.192663203e+01 1.92 3.473903569e+01 6.332336839e+01 7.659882353e+01 1.94 3.205246014e+01 5.908424979e+01 7.158575770e+01 1.96 2.955062536e+01 5.511988136e+01 6.687114875e+01 1.98 2.722151671e+01 5.141050034e+01 6.244017402e+01 2.00 2.505329634e+01 4.793786449e+01 5.827899854e+01 2.02 2.303441990e+01 4.468520962e+01 5.437430776e+01 2.04 2.115381583e+01 4.163712902e+01 5.071292444e+01 2.06 1.940109306e+01 3.877942243e+01 4.728159065e+01 2.08 1.776668582e+01 3.609895578e+01 4.406693642e+01 2.10 1.624192256e+01 3.358355726e+01 4.105562197e+01 2.12 1.481901298e+01 3.122195994e+01 3.823457210e+01 2.14 1.349097377e+01 2.900377924e+01 3.559122092e+01 2.16 1.225152553e+01 2.691949859e+01 3.311369985e+01 2.18 1.109496817e+01 2.496044601e+01 3.079093990e+01 2.20 1.001608110e+01 2.311873753e+01 2.861269710e+01 2.22 9.010081459e+00 2.138720579e+01 2.656951688e+01 2.24 8.072467414e+00 1.975930996e+01 2.465267656e+01 2.26 7.198890341e+00 1.822904348e+01 2.285411401e+01 2.28 6.385262212e+00 1.679084719e+01 2.116636279e+01 2.30 5.627739044e+00 1.543953250e+01 1.958248184e+01 2.32 4.922712449e+00 1.417021897e+01 1.809600239e+01 2.34 4.266801850e+00 1.297828744e+01 1.670087665e+01 2.36 3.656836985e+00 1.185934749e+01 1.539143672e+01 2.38 3.089908474e+00 1.080921796e+01 1.416236263e+01 2.40 2.563478789e+00 9.823918085e+00 1.300865834e+01 2.42 2.075157487e+00 8.899732159e+00 1.192563387e+01 2.44 1.622651171e+00 8.033055954e+00 1.090889210e+01 2.46 1.203770446e+00 7.220435522e+00 9.954318646e+00 2.48 8.164357921e-01 6.458635050e+00 9.058072797e+00 2.50 4.586813598e-01 5.744633572e+00 8.216598343e+00 2.52 1.286561437e-01 5.075618295e+00 7.426651089e+00 2.54 -1.753774389e-01 4.448974219e+00 6.685068464e+00 2.56 -4.550480136e-01 3.862270481e+00 5.988904640e+00 2.58 -7.118800575e-01 3.313248795e+00 5.335437045e+00 2.60 -9.473025644e-01 2.799912023e+00 4.722142660e+00 2.62 -1.162653461e+00 2.320487358e+00 4.146675304e+00 2.64 -1.359187245e+00 1.873275760e+00 3.606842113e+00 2.66 -1.538077748e+00 1.456641227e+00 3.100598981e+00 2.68 -1.700420556e+00 1.069001852e+00 2.626174701e+00 2.70 -1.847233806e+00 7.088263054e-01 2.181972256e+00 2.72 -1.979459368e+00 3.746325695e-01 1.766429228e+00 2.74 -2.097965602e+00 6.498961615e-02 1.378023257e+00 2.76 -2.203552236e+00 -2.214785188e-01 1.015280682e+00 2.78 -2.296956715e+00 -4.860871127e-01 6.767850227e-01 2.80 -2.378862518e+00 -7.300854064e-01 3.611847029e-01 2.82 -2.449904064e+00 -9.546508226e-01 6.719907983e-02 2.84 -2.510673060e+00 -1.160886076e+00 -2.063778947e-01 2.86 -2.561721057e+00 -1.349818081e+00 -4.606765979e-01 2.88 -2.603563677e+00 -1.522399798e+00 -6.967528456e-01 2.90 -2.636678563e+00 -1.679515027e+00 -9.155905756e-01 2.92 -2.661508469e+00 -1.821985956e+00 -1.118105538e+00 2.94 -2.678469565e+00 -1.950582912e+00 -1.305149637e+00 2.96 -2.687948246e+00 -2.066035430e+00 -1.477513843e+00 2.98 -2.690315737e+00 -2.169043519e+00 -1.635941661e+00 3.00 -2.685936986e+00 -2.260287862e+00 -1.781121916e+00 3.02 -2.675182748e+00 -2.340437799e+00 -1.913703858e+00 3.04 -2.658441767e+00 -2.410155121e+00 -2.034300504e+00 3.06 -2.636257411e+00 -2.470100681e+00 -2.143493900e+00 3.08 -2.609064231e+00 -2.520925215e+00 -2.241839421e+00 3.10 -2.577051311e+00 -2.563271347e+00 -2.329868832e+00 3.12 -2.540531897e+00 -2.597765810e+00 -2.408092047e+00 3.14 -2.499932769e+00 -2.625020003e+00 -2.476997686e+00 3.16 -2.455768121e+00 -2.645614891e+00 -2.537052689e+00 3.18 -2.408544499e+00 -2.660102016e+00 -2.588701297e+00 3.20 -2.358763805e+00 -2.668995994e+00 -2.632363496e+00 3.22 -2.306975198e+00 -2.672808209e+00 -2.668434846e+00 3.24 -2.253742734e+00 -2.671946961e+00 -2.697284070e+00 3.26 -2.199614643e+00 -2.666736919e+00 -2.719254345e+00 3.28 -2.145098863e+00 -2.657472892e+00 -2.734664383e+00 3.30 -2.090645393e+00 -2.644417088e+00 -2.743811403e+00 3.32 -2.036635372e+00 -2.627801141e+00 -2.746975856e+00 3.34 -1.983375523e+00 -2.607831903e+00 -2.744427908e+00 3.36 -1.931102413e+00 -2.584749319e+00 -2.736435445e+00 3.38 -1.879981659e+00 -2.558771650e+00 -2.723273083e+00 3.40 -1.830119741e+00 -2.529923275e+00 -2.705231452e+00 3.42 -1.781570985e+00 -2.498266356e+00 -2.682694361e+00 3.44 -1.734353184e+00 -2.463911823e+00 -2.656085485e+00 3.46 -1.688448105e+00 -2.427022062e+00 -2.625564279e+00 3.48 -1.643816714e+00 -2.387799288e+00 -2.591366967e+00 3.50 -1.600404107e+00 -2.346437813e+00 -2.553816622e+00 3.52 -1.558150637e+00 -2.303161065e+00 -2.513319337e+00 3.54 -1.516990081e+00 -2.258235605e+00 -2.470322591e+00 3.56 -1.476858882e+00 -2.211956232e+00 -2.425250025e+00 3.58 -1.437697797e+00 -2.164630857e+00 -2.378520427e+00 3.60 -1.399453837e+00 -2.116566534e+00 -2.330566608e+00 3.62 -1.362081286e+00 -2.068057799e+00 -2.281810043e+00 3.64 -1.325541956e+00 -2.019378013e+00 -2.232640462e+00 3.66 -1.289804882e+00 -1.970773853e+00 -2.183401832e+00 3.68 -1.254845619e+00 -1.922462629e+00 -2.134384798e+00 3.70 -1.220645306e+00 -1.874631795e+00 -2.085824737e+00 3.72 -1.187189640e+00 -1.827439894e+00 -2.037904113e+00 3.74 -1.154467839e+00 -1.781018212e+00 -1.990757691e+00 3.76 -1.122471688e+00 -1.735472644e+00 -1.944479270e+00 3.78 -1.091194696e+00 -1.690885503e+00 -1.899128901e+00 3.80 -1.060631391e+00 -1.647317255e+00 -1.854739855e+00 3.82 -1.030776754e+00 -1.604808289e+00 -1.811324887e+00 3.84 -1.001625784e+00 -1.563380891e+00 -1.768881600e+00 3.86 -9.731731839e-01 -1.523041511e+00 -1.727396827e+00 3.88 -9.454131360e-01 -1.483783302e+00 -1.686850107e+00 3.90 -9.183391668e-01 -1.445588841e+00 -1.647216333e+00 3.92 -8.919431037e-01 -1.408431608e+00 -1.608466209e+00 3.94 -8.662190736e-01 -1.372283586e+00 -1.570573927e+00 3.96 -8.411571530e-01 -1.337109440e+00 -1.533508249e+00 3.98 -8.167478551e-01 -1.302873900e+00 -1.497240053e+00 4.00 -7.929809814e-01 -1.269541593e+00 -1.461740889e+00 4.02 -7.698456663e-01 -1.237077961e+00 -1.426983193e+00 4.04 -7.473304263e-01 -1.205449822e+00 -1.392940411e+00 4.06 -7.254232119e-01 -1.174625656e+00 -1.359587075e+00 4.08 -7.041114591e-01 -1.144575694e+00 -1.326898870e+00 4.10 -6.833821440e-01 -1.115268232e+00 -1.294852726e+00 4.12 -6.632218366e-01 -1.086684701e+00 -1.263426956e+00 4.14 -6.436167578e-01 -1.058795625e+00 -1.232601444e+00 4.16 -6.245528393e-01 -1.031577221e+00 -1.202357880e+00 4.18 -6.060157864e-01 -1.005006826e+00 -1.172680036e+00 4.20 -5.879886132e-01 -9.790627994e-01 -1.143554028e+00 4.22 -5.704622886e-01 -9.537244534e-01 -1.114968560e+00 4.24 -5.534191904e-01 -9.289720308e-01 -1.086915068e+00 4.26 -5.368448302e-01 -9.047867117e-01 -1.059387739e+00 4.28 -5.207248450e-01 -8.811506486e-01 -1.032383368e+00 4.30 -5.050450655e-01 -8.580470173e-01 -1.005901024e+00 4.32 -4.897915760e-01 -8.354600733e-01 -9.799415523e-01 4.34 -4.749507649e-01 -8.133752026e-01 -9.545069321e-01 4.36 -4.605086521e-01 -7.917789567e-01 -9.295995776e-01 4.38 -4.464538674e-01 -7.706590643e-01 -9.052216396e-01 4.40 -4.327730159e-01 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-2.376434274e-01 -4.494144396e-01 -5.369527568e-01 4.78 -2.289934107e-01 -4.362737175e-01 -5.220111755e-01 4.80 -2.205192143e-01 -4.234582212e-01 -5.074546745e-01 4.82 -2.122176420e-01 -4.109640980e-01 -4.932753066e-01 4.84 -2.040872560e-01 -3.987799421e-01 -4.794651691e-01 4.86 -1.961284900e-01 -3.868967688e-01 -4.660163958e-01 4.88 -1.883436822e-01 -3.753054583e-01 -4.529211541e-01 4.90 -1.807370069e-01 -3.639968126e-01 -4.401716439e-01 4.92 -1.733142877e-01 -3.529616204e-01 -4.277600991e-01 4.94 -1.660826869e-01 -3.421907310e-01 -4.156787914e-01 4.96 -1.590502770e-01 -3.316751382e-01 -4.039200342e-01 4.98 -1.522255144e-01 -3.214060752e-01 -3.924761876e-01 5.00 -1.456166501e-01 -3.113751206e-01 -3.813396635e-01 5.02 -1.392311243e-01 -3.015743142e-01 -3.705029299e-01 5.04 -1.330749950e-01 -2.919962826e-01 -3.599585156e-01 5.06 -1.271524519e-01 -2.826343693e-01 -3.496990139e-01 5.08 -1.214654594e-01 -2.734827662e-01 -3.397170853e-01 5.10 -1.160135537e-01 -2.645366381e-01 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-1.386470791e-01 -1.935138068e-01 5.48 -4.665680296e-02 -1.336611741e-01 -1.876362075e-01 5.50 -4.429481052e-02 -1.288650432e-01 -1.818943179e-01 5.52 -4.203961365e-02 -1.242492830e-01 -1.762815585e-01 5.54 -3.989037696e-02 -1.198038199e-01 -1.707901567e-01 5.56 -3.784581235e-02 -1.155181354e-01 -1.654160358e-01 5.58 -3.590404299e-02 -1.113814764e-01 -1.601512272e-01 5.60 -3.406242840e-02 -1.073830428e-01 -1.549891483e-01 5.62 -3.231770011e-02 -1.035121494e-01 -1.499232501e-01 5.64 -3.066605172e-02 -9.975836117e-02 -1.449470433e-01 5.66 -2.910320112e-02 -9.611160396e-02 -1.400541323e-01 5.68 -2.762437662e-02 -9.256225348e-02 -1.352382578e-01 5.70 -2.622444000e-02 -8.910120811e-02 -1.304933489e-01 5.72 -2.489801737e-02 -8.571994920e-02 -1.258135861e-01 5.74 -2.363962933e-02 -8.241059330e-02 -1.211934747e-01 5.76 -2.244381384e-02 -7.916594034e-02 -1.166279305e-01 5.78 -2.130523740e-02 -7.597952069e-02 -1.121123759e-01 5.80 -2.021879188e-02 -7.284564228e-02 -1.076428443e-01 5.82 -1.917967579e-02 -6.975944062e-02 -1.032160951e-01 5.84 -1.818346010e-02 -6.671693020e-02 -9.882973331e-02 5.86 -1.722613925e-02 -6.371505595e-02 -9.448232984e-02 5.88 -1.630416840e-02 -6.075174236e-02 -9.017353768e-02 5.90 -1.541448777e-02 -5.782593630e-02 -8.590419695e-02 5.92 -1.455453529e-02 -5.493763903e-02 -8.167642132e-02 5.94 -1.372224791e-02 -5.208790996e-02 -7.749365744e-02 5.96 -1.291605205e-02 -4.927862913e-02 -7.336070956e-02 5.98 -1.213484346e-02 -4.651291992e-02 -6.928371661e-02 6.00 -1.137795660e-02 -4.379498852e-02 -6.527008025e-02