# 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 = Al3Pd # 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 1.417172289e+02 nan nan 1.16 1.310736239e+02 nan nan 1.18 1.212386840e+02 nan nan 1.20 1.121428167e+02 nan nan 1.22 1.037222930e+02 nan nan 1.24 9.591923757e+01 nan nan 1.26 8.868139632e+01 nan nan 1.28 8.196223884e+01 1.241858727e+02 1.414722215e+02 1.30 7.572057489e+01 1.155977231e+02 1.319403413e+02 1.32 6.991907929e+01 1.075963754e+02 1.230552731e+02 1.34 6.452299296e+01 1.001392166e+02 1.147665988e+02 1.36 5.950022137e+01 9.318572485e+01 1.070277433e+02 1.38 5.482216263e+01 8.669636414e+01 9.979703153e+01 1.40 5.046382555e+01 8.063349230e+01 9.303801427e+01 1.42 4.640288670e+01 7.496302361e+01 8.671816601e+01 1.44 4.261857401e+01 6.965557808e+01 8.080717128e+01 1.46 3.909341949e+01 6.468652109e+01 7.527632894e+01 1.48 3.582443752e+01 6.003486181e+01 7.009901357e+01 1.50 3.279636815e+01 5.568155591e+01 6.525105964e+01 1.52 2.999527896e+01 5.160812503e+01 6.071038443e+01 1.54 2.740305244e+01 4.779613155e+01 5.645609993e+01 1.56 2.500240823e+01 4.422732450e+01 5.246780202e+01 1.58 2.277759082e+01 4.088400705e+01 4.872550772e+01 1.60 2.071448011e+01 3.775510646e+01 4.521018787e+01 1.62 1.880053097e+01 3.483549123e+01 4.190448934e+01 1.64 1.702462182e+01 3.211228247e+01 3.879421003e+01 1.66 1.537689363e+01 2.957515049e+01 3.587824262e+01 1.68 1.384857543e+01 2.721147789e+01 3.314876268e+01 1.70 1.243176674e+01 2.500945152e+01 3.059849741e+01 1.72 1.111918741e+01 2.295783786e+01 2.821657989e+01 1.74 9.903936892e+00 2.104578532e+01 2.599221517e+01 1.76 8.779312891e+00 1.926284527e+01 2.391511299e+01 1.78 7.738734283e+00 1.759913403e+01 2.197549938e+01 1.80 6.775780244e+00 1.604554340e+01 2.016414320e+01 1.82 5.884303734e+00 1.459390758e+01 1.847240022e+01 1.84 5.058550285e+00 1.323705467e+01 1.689225659e+01 1.86 4.293238011e+00 1.196873171e+01 1.541632410e+01 1.88 3.583596514e+00 1.078344970e+01 1.403775926e+01 1.90 2.925379242e+00 9.676303935e+00 1.275014282e+01 1.92 2.314855726e+00 8.642801238e+00 1.154739832e+01 1.94 1.748779613e+00 7.678712026e+00 1.042379376e+01 1.96 1.224331737e+00 6.779967734e+00 9.373990973e+00 1.98 7.390497422e-01 5.942620735e+00 8.393071391e+00 2.00 2.907608682e-01 5.162864475e+00 7.476504324e+00 2.02 -1.224732564e-01 4.437086812e+00 6.620081962e+00 2.04 -5.024033273e-01 3.761916042e+00 5.819866626e+00 2.06 -8.506414806e-01 3.134226362e+00 5.072177085e+00 2.08 -1.168720847e+00 2.551096542e+00 4.373609363e+00 2.10 -1.458163831e+00 2.009744804e+00 3.721066900e+00 2.12 -1.720547340e+00 1.507473408e+00 3.111774618e+00 2.14 -1.957549277e+00 1.041645284e+00 2.543264328e+00 2.16 -2.170964207e+00 6.096966794e-01 2.013331839e+00 2.18 -2.362683801e+00 2.091762267e-01 1.519972081e+00 2.20 -2.534645510e+00 -1.622052907e-01 1.061301956e+00 2.22 -2.688758777e+00 -5.065311606e-01 6.354873150e-01 2.24 -2.826823181e+00 -8.256530966e-01 2.406955794e-01 2.26 -2.950455708e+00 -1.121187582e+00 -1.249099524e-01 2.28 -3.061042860e+00 -1.394530083e+00 -4.631376992e-01 2.30 -3.159726366e+00 -1.646879422e+00 -7.757204191e-01 2.32 -3.247421559e+00 -1.879266360e+00 -1.064280165e+00 2.34 -3.324858409e+00 -2.092583301e+00 -1.330319222e+00 2.36 -3.392631161e+00 -2.287615172e+00 -1.575233328e+00 2.38 -3.451244311e+00 -2.465071897e+00 -1.800334783e+00 2.40 -3.501148207e+00 -2.625622619e+00 -2.006874720e+00 2.42 -3.542768260e+00 -2.769930623e+00 -2.196060166e+00 2.44 -3.576730159e+00 -2.898686494e+00 -2.369065644e+00 2.46 -3.603452734e+00 -3.012635850e+00 -2.527039594e+00 2.48 -3.623938076e+00 -3.112597367e+00 -2.671103671e+00 2.50 -3.640109921e+00 -3.199468354e+00 -2.802341644e+00 2.52 -3.651544548e+00 -3.274219045e+00 -2.921776689e+00 2.54 -3.657788450e+00 -3.337880883e+00 -3.030341514e+00 2.56 -3.658488509e+00 -3.391534535e+00 -3.128850222e+00 2.58 -3.653390626e+00 -3.436298171e+00 -3.217981346e+00 2.60 -3.642354983e+00 -3.473309177e+00 -3.298276774e+00 2.62 -3.625386165e+00 -3.503690053e+00 -3.370155153e+00 2.64 -3.602691217e+00 -3.528575365e+00 -3.433934433e+00 2.66 -3.574715191e+00 -3.549149187e+00 -3.489857519e+00 2.68 -3.542077376e+00 -3.566366045e+00 -3.538117411e+00 2.70 -3.505513003e+00 -3.581556310e+00 -3.578880142e+00 2.72 -3.465814719e+00 -3.595404230e+00 -3.612305810e+00 2.74 -3.423766962e+00 -3.607345359e+00 -3.638645103e+00 2.76 -3.380088444e+00 -3.616860814e+00 -3.658311988e+00 2.78 -3.335392025e+00 -3.623506378e+00 -3.672645723e+00 2.80 -3.290164010e+00 -3.626913688e+00 -3.682672392e+00 2.82 -3.244760089e+00 -3.626789750e+00 -3.688085869e+00 2.84 -3.199414019e+00 -3.622926809e+00 -3.688777791e+00 2.86 -3.154255302e+00 -3.615198258e+00 -3.684835221e+00 2.88 -3.109332460e+00 -3.603543569e+00 -3.676523258e+00 2.90 -3.064638106e+00 -3.587969005e+00 -3.664248751e+00 2.92 -3.020132526e+00 -3.568539063e+00 -3.648509271e+00 2.94 -2.975763004e+00 -3.545362305e+00 -3.629853240e+00 2.96 -2.931477496e+00 -3.518592157e+00 -3.608815742e+00 2.98 -2.887232852e+00 -3.488429996e+00 -3.585863348e+00 3.00 -2.842998302e+00 -3.455129451e+00 -3.561342137e+00 3.02 -2.798755566e+00 -3.418999603e+00 -3.535477994e+00 3.04 -2.754496880e+00 -3.380403518e+00 -3.508395711e+00 3.06 -2.710222030e+00 -3.339748869e+00 -3.480145547e+00 3.08 -2.665935266e+00 -3.297469032e+00 -3.450730146e+00 3.10 -2.621642654e+00 -3.253996813e+00 -3.420127358e+00 3.12 -2.577350251e+00 -3.209735438e+00 -3.388307111e+00 3.14 -2.533063252e+00 -3.165033168e+00 -3.355242365e+00 3.16 -2.488786093e+00 -3.120166380e+00 -3.320915168e+00 3.18 -2.444523334e+00 -3.075333758e+00 -3.285319184e+00 3.20 -2.400281030e+00 -3.030660507e+00 -3.248459964e+00 3.22 -2.356068207e+00 -2.986209745e+00 -3.210354047e+00 3.24 -2.311898102e+00 -2.941997368e+00 -3.171027559e+00 3.26 -2.267788863e+00 -2.898007220e+00 -3.130514908e+00 3.28 -2.223763581e+00 -2.854204492e+00 -3.088857787e+00 3.30 -2.179849670e+00 -2.810546406e+00 -3.046104624e+00 3.32 -2.136077740e+00 -2.766990057e+00 -3.002310518e+00 3.34 -2.092480215e+00 -2.723497775e+00 -2.957537625e+00 3.36 -2.049089987e+00 -2.680040515e+00 -2.911855961e+00 3.38 -2.005939214e+00 -2.636599779e+00 -2.865344648e+00 3.40 -1.963058549e+00 -2.593168439e+00 -2.818093592e+00 3.42 -1.920476694e+00 -2.549750793e+00 -2.770205582e+00 3.44 -1.878220335e+00 -2.506361919e+00 -2.721798556e+00 3.46 -1.836314189e+00 -2.463026596e+00 -2.673007564e+00 3.48 -1.794781227e+00 -2.419777788e+00 -2.623985648e+00 3.50 -1.753642793e+00 -2.376654850e+00 -2.574902703e+00 3.52 -1.712918636e+00 -2.333701550e+00 -2.525941753e+00 3.54 -1.672626655e+00 -2.290964036e+00 -2.477292046e+00 3.56 -1.632782537e+00 -2.248488857e+00 -2.429140006e+00 3.58 -1.593399166e+00 -2.206321119e+00 -2.381658888e+00 3.60 -1.554485892e+00 -2.164502860e+00 -2.334998953e+00 3.62 -1.516047727e+00 -2.123071664e+00 -2.289279742e+00 3.64 -1.478084521e+00 -2.082059552e+00 -2.244585526e+00 3.66 -1.440590177e+00 -2.041492129e+00 -2.200964292e+00 3.68 -1.403551973e+00 -2.001387993e+00 -2.158429882e+00 3.70 -1.366950030e+00 -1.961758393e+00 -2.116966445e+00 3.72 -1.330756985e+00 -1.922607117e+00 -2.076534159e+00 3.74 -1.294937913e+00 -1.883930605e+00 -2.037075310e+00 3.76 -1.259450561e+00 -1.845718282e+00 -1.998520053e+00 3.78 -1.224245951e+00 -1.807953088e+00 -1.960791467e+00 3.80 -1.189269426e+00 -1.770612204e+00 -1.923809767e+00 3.82 -1.154462225e+00 -1.733667940e+00 -1.887495698e+00 3.84 -1.119763645e+00 -1.697088762e+00 -1.851773221e+00 3.86 -1.085113859e+00 -1.660840417e+00 -1.816571606e+00 3.88 -1.050457398e+00 -1.624887111e+00 -1.781827057e+00 3.90 -1.015747241e+00 -1.589192694e+00 -1.747483921e+00 3.92 -9.809493484e-01 -1.553721791e+00 -1.713495522e+00 3.94 -9.460474084e-01 -1.518440896e+00 -1.679824693e+00 3.96 -9.110472490e-01 -1.483319257e+00 -1.646443806e+00 3.98 -8.759805241e-01 -1.448329721e+00 -1.613334591e+00 4.00 -8.409069223e-01 -1.413449383e+00 -1.580487529e+00 4.02 -8.059143387e-01 -1.378660121e+00 -1.547900956e+00 4.04 -7.711165509e-01 -1.343949019e+00 -1.515579931e+00 4.06 -7.366482473e-01 -1.309308705e+00 -1.483534922e+00 4.08 -7.026576717e-01 -1.274737656e+00 -1.451780425e+00 4.10 -6.692975881e-01 -1.240240472e+00 -1.420333576e+00 4.12 -6.367156279e-01 -1.205828341e+00 -1.389212834e+00 4.14 -6.050452412e-01 -1.171519310e+00 -1.358436798e+00 4.16 -5.743983811e-01 -1.137338969e+00 -1.328023184e+00 4.18 -5.448607217e-01 -1.103321075e+00 -1.297987990e+00 4.20 -5.164897147e-01 -1.069508240e+00 -1.268344833e+00 4.22 -4.893154371e-01 -1.035952482e+00 -1.239104465e+00 4.24 -4.633433836e-01 -1.002715421e+00 -1.210274435e+00 4.26 -4.385588767e-01 -9.698678528e-01 -1.181858873e+00 4.28 -4.149320214e-01 -9.374884423e-01 -1.153858376e+00 4.30 -3.924227104e-01 -9.056613836e-01 -1.126269970e+00 4.32 -3.709852274e-01 -8.744730171e-01 -1.099087117e+00 4.34 -3.505722012e-01 -8.440076046e-01 -1.072299775e+00 4.36 -3.311377919e-01 -8.143426465e-01 -1.045894468e+00 4.38 -3.126400914e-01 -7.855442523e-01 -1.019854383e+00 4.40 -2.950426472e-01 -7.576631120e-01 -9.941594810e-01 4.42 -2.783151846e-01 -7.307315293e-01 -9.687866264e-01 4.44 -2.624334615e-01 -7.047618175e-01 -9.437097339e-01 4.46 -2.473783371e-01 -6.797461450e-01 -9.188999506e-01 4.48 -2.331341811e-01 -6.556577165e-01 -8.943258755e-01 4.50 -2.196868349e-01 -6.324530248e-01 -8.699538338e-01 4.52 -2.070214004e-01 -6.100748235e-01 -8.457481855e-01 4.54 -1.951201533e-01 -5.884554639e-01 -8.216718691e-01 4.56 -1.839608459e-01 -5.675202829e-01 -7.976867108e-01 4.58 -1.735155935e-01 -5.471908052e-01 -7.737541624e-01 4.60 -1.637504326e-01 -5.273876089e-01 -7.498359652e-01 4.62 -1.546255401e-01 -5.080327806e-01 -7.258949433e-01 4.64 -1.460960138e-01 -4.890519466e-01 -7.018958820e-01 4.66 -1.381130682e-01 -4.703759066e-01 -6.778064775e-01 4.68 -1.306254758e-01 -4.519419208e-01 -6.535983408e-01 4.70 -1.235811000e-01 -4.336947115e-01 -6.292480406e-01 4.72 -1.169283970e-01 -4.155872422e-01 -6.047381726e-01 4.74 -1.106177871e-01 -3.975813371e-01 -5.800584516e-01 4.76 -1.046028678e-01 -3.796481959e-01 -5.552068268e-01 4.78 -9.884143240e-02 -3.617688516e-01 -5.301906232e-01 4.80 -9.329629201e-02 -3.439345843e-01 -5.050277028e-01 4.82 -8.793588148e-02 -3.261473991e-01 -4.797476174e-01 4.84 -8.273468967e-02 -3.084202848e-01 -4.543926865e-01 4.86 -7.767343917e-02 -2.907775418e-01 -4.290188898e-01 4.88 -7.273918206e-02 -2.732548080e-01 -4.036964124e-01 4.90 -6.792529270e-02 -2.558987700e-01 -3.785096480e-01 4.92 -6.323085750e-02 -2.387664068e-01 -3.535564622e-01 4.94 -5.866007823e-02 -2.219236589e-01 -3.289465471e-01 4.96 -5.422145632e-02 -2.054434632e-01 -3.047987819e-01 4.98 -4.992678461e-02 -1.894031762e-01 -2.812376284e-01 5.00 -4.579000624e-02 -1.738814946e-01 -2.583887254e-01 5.02 -4.182601077e-02 -1.589550714e-01 -2.363739794e-01 5.04 -3.804944257e-02 -1.446950891e-01 -2.153065437e-01 5.06 -3.447360926e-02 -1.311640758e-01 -1.952861230e-01 5.08 -3.110958332e-02 -1.184132378e-01 -1.763950164e-01 5.10 -2.796552376e-02 -1.064805184e-01 -1.586952267e-01 5.12 -2.504625701e-02 -9.538951282e-02 -1.422268339e-01 5.14 -2.235311960e-02 -8.514927091e-02 -1.270076822e-01 5.16 -1.988369889e-02 -7.575489631e-02 -1.130342870e-01 5.18 -1.763256144e-02 -6.718883041e-02 -1.002837576e-01 5.20 -1.559216461e-02 -5.942261003e-02 -8.871646145e-02 5.22 -1.375262750e-02 -5.241894218e-02 -7.827912745e-02 5.24 -1.210230241e-02 -4.613387541e-02 -6.890813502e-02 5.26 -1.062833982e-02 -4.051890669e-02 -6.053269514e-02 5.28 -9.317206049e-03 -3.552276997e-02 -5.307778451e-02 5.30 -8.155132386e-03 -3.109305373e-02 -4.646667963e-02 5.32 -7.128485216e-03 -2.717848815e-02 -4.062311031e-02 5.34 -6.224055530e-03 -2.372925180e-02 -3.547295506e-02 5.36 -5.429272267e-03 -2.069777122e-02 -3.094549252e-02 5.38 -4.732347871e-03 -1.803903096e-02 -2.697385585e-02 5.40 -4.122366361e-03 -1.571160238e-02 -2.349605912e-02 5.42 -3.589324764e-03 -1.367765214e-02 -2.045603724e-02 5.44 -3.124138285e-03 -1.190269003e-02 -1.780248699e-02 5.46 -2.718618512e-03 -1.035554841e-02 -1.548908011e-02 5.48 -2.365432639e-03 -9.008267485e-03 -1.347424237e-02 5.50 -2.058050250e-03 -7.835918191e-03 -1.172084174e-02 5.52 -1.790682848e-03 -6.816387548e-03 -1.019589937e-02 5.54 -1.558220107e-03 -5.930144977e-03 -8.870252590e-03 5.56 -1.356165771e-03 -5.160003116e-03 -7.718246576e-03 5.58 -1.180575280e-03 -4.490882607e-03 -6.717336394e-03 5.60 -1.027996509e-03 -3.909587187e-03 -5.847794391e-03 5.62 -8.954144697e-04 -3.404593013e-03 -5.092388895e-03 5.64 -7.802004655e-04 -2.965854415e-03 -4.436095970e-03 5.66 -6.800658368e-04 -2.584626979e-03 -3.865836228e-03 5.68 -5.930202888e-04 -2.253307981e-03 -3.370237027e-03 5.70 -5.173346163e-04 -1.965293613e-03 -2.939419440e-03 5.72 -4.515075722e-04 -1.714852043e-03 -2.564808685e-03 5.74 -3.942365649e-04 -1.497011160e-03 -2.238966373e-03 5.76 -3.443918550e-04 -1.307459724e-03 -1.955442742e-03 5.78 -3.009939118e-04 -1.142460646e-03 -1.708646975e-03 5.80 -2.631936020e-04 -9.987751250e-04 -1.493733732e-03 5.82 -2.302548975e-04 -8.735964570e-04 -1.306504142e-03 5.84 -2.015398143e-04 -7.644923973e-04 -1.143319567e-03 5.86 -1.764953152e-04 -6.693550515e-04 -1.001026638e-03 5.88 -1.546419361e-04 -5.863573759e-04 -8.768921704e-04 5.90 -1.355639207e-04 -5.139154568e-04 -7.685467264e-04 5.92 -1.189006706e-04 -4.506558287e-04 -6.739357169e-04 5.94 -1.043393409e-04 -3.953871790e-04 -5.912770648e-04 5.96 -9.160843100e-05 -3.470758637e-04 -5.190245714e-04 5.98 -8.047223979e-05 -3.048247281e-04 -4.558362288e-04 6.00 -7.072606890e-05 -2.678547928e-04 -4.005468187e-04