# 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 = AlPb3 # 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 3.832765150e+02 nan nan 1.16 3.567750598e+02 nan nan 1.18 3.322464169e+02 nan nan 1.20 3.095254010e+02 nan nan 1.22 2.884618383e+02 nan nan 1.24 2.689186252e+02 nan nan 1.26 2.507704100e+02 nan nan 1.28 2.339033597e+02 3.397078914e+02 3.823997600e+02 1.30 2.182146635e+02 3.182851255e+02 3.587213667e+02 1.32 2.036109962e+02 2.983065437e+02 3.366196779e+02 1.34 1.900072654e+02 2.796601849e+02 3.159735505e+02 1.36 1.773263023e+02 2.622427919e+02 2.966726153e+02 1.38 1.654986818e+02 2.459591412e+02 2.786175056e+02 1.40 1.544615875e+02 2.307226291e+02 2.617194345e+02 1.42 1.441571428e+02 2.164558570e+02 2.458978923e+02 1.44 1.345313697e+02 2.030904337e+02 2.310778490e+02 1.46 1.255343218e+02 1.905658097e+02 2.171884044e+02 1.48 1.171205523e+02 1.788272187e+02 2.041631141e+02 1.50 1.092489895e+02 1.678233411e+02 1.919406309e+02 1.52 1.018821438e+02 1.575047180e+02 1.804646875e+02 1.54 9.498513869e+01 1.478235059e+02 1.696835186e+02 1.56 8.852596223e+01 1.387341596e+02 1.595491811e+02 1.58 8.249124853e+01 1.301942503e+02 1.500172347e+02 1.60 7.685869175e+01 1.221649576e+02 1.410467318e+02 1.62 7.160053515e+01 1.146112219e+02 1.326002325e+02 1.64 6.669022390e+01 1.075016276e+02 1.246437447e+02 1.66 6.210355115e+01 1.008080762e+02 1.171464967e+02 1.68 5.781830125e+01 9.450520244e+01 1.100804550e+02 1.70 5.381383778e+01 8.857020108e+01 1.034196503e+02 1.72 5.007082337e+01 8.299393697e+01 9.713947534e+01 1.74 4.657111351e+01 7.776185605e+01 9.121628251e+01 1.76 4.329779475e+01 7.285274711e+01 8.563216207e+01 1.78 4.023526562e+01 6.824508605e+01 8.037973167e+01 1.80 3.736928373e+01 6.391860895e+01 7.543927270e+01 1.82 3.468695455e+01 5.985441838e+01 7.079060469e+01 1.84 3.217663483e+01 5.603498464e+01 6.641501474e+01 1.86 2.982773265e+01 5.244410999e+01 6.229566864e+01 1.88 2.763044174e+01 4.906693401e+01 5.841748459e+01 1.90 2.557548929e+01 4.588991188e+01 5.476681895e+01 1.92 2.365397695e+01 4.290075255e+01 5.133105035e+01 1.94 2.185734935e+01 4.008829306e+01 4.809815370e+01 1.96 2.017744322e+01 3.744233051e+01 4.505644637e+01 1.98 1.860654614e+01 3.495341930e+01 4.219452467e+01 2.00 1.713742225e+01 3.261267804e+01 3.950133744e+01 2.02 1.576331299e+01 3.041164717e+01 3.696631386e+01 2.04 1.447791590e+01 2.834220843e+01 3.457946498e+01 2.06 1.327538010e+01 2.639656555e+01 3.233144207e+01 2.08 1.215030221e+01 2.456726953e+01 3.021354505e+01 2.10 1.109772560e+01 2.284726012e+01 2.821771679e+01 2.12 1.011312974e+01 2.122990326e+01 2.633652196e+01 2.14 9.192401555e+00 1.970901084e+01 2.456312062e+01 2.16 8.331788214e+00 1.827883325e+01 2.289123424e+01 2.18 7.527825743e+00 1.693403377e+01 2.131510166e+01 2.20 6.777271954e+00 1.566964550e+01 1.982943002e+01 2.22 6.077043055e+00 1.448103310e+01 1.842932461e+01 2.24 5.424178068e+00 1.336385565e+01 1.711022204e+01 2.26 4.815828536e+00 1.231403542e+01 1.586781446e+01 2.28 4.249267371e+00 1.132773229e+01 1.469798895e+01 2.30 3.721903551e+00 1.040131897e+01 1.359678163e+01 2.32 3.231294034e+00 9.531364192e+00 1.256036701e+01 2.34 2.775147097e+00 8.714616322e+00 1.158506591e+01 2.36 2.351314439e+00 7.947994218e+00 1.066736711e+01 2.38 1.957782147e+00 7.228579632e+00 9.803951234e+00 2.40 1.592655008e+00 6.553611924e+00 8.991705871e+00 2.42 1.254144243e+00 5.920484966e+00 8.227729841e+00 2.44 9.405573057e-01 5.326743361e+00 7.509323049e+00 2.46 6.502908252e-01 4.770081001e+00 6.833965994e+00 2.48 3.818268936e-01 4.248338290e+00 6.199293918e+00 2.50 1.337326095e-01 3.759498297e+00 5.603073427e+00 2.52 -9.533786300e-02 3.301680648e+00 5.043181785e+00 2.54 -3.066400692e-01 2.873132522e+00 4.517597224e+00 2.56 -5.013391643e-01 2.472216586e+00 4.024393964e+00 2.58 -6.807455907e-01 2.097396408e+00 3.561741439e+00 2.60 -8.464142892e-01 1.747220748e+00 3.127904549e+00 2.62 -9.989931295e-01 1.420309494e+00 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-1.352213860e+00 3.00 -2.161893969e+00 -1.794264433e+00 -1.456991017e+00 3.02 -2.166745260e+00 -1.858315707e+00 -1.553328923e+00 3.04 -2.168573492e+00 -1.915342497e+00 -1.641651591e+00 3.06 -2.167686293e+00 -1.965798504e+00 -1.722363084e+00 3.08 -2.164245596e+00 -2.010138675e+00 -1.795851351e+00 3.10 -2.158361039e+00 -2.048816903e+00 -1.862495746e+00 3.12 -2.150148679e+00 -2.082275825e+00 -1.922661573e+00 3.14 -2.139730415e+00 -2.110943383e+00 -1.976697117e+00 3.16 -2.127233845e+00 -2.135219798e+00 -2.024933917e+00 3.18 -2.112792589e+00 -2.155478347e+00 -2.067686880e+00 3.20 -2.096546792e+00 -2.172061810e+00 -2.105254158e+00 3.22 -2.078642778e+00 -2.185281451e+00 -2.137918737e+00 3.24 -2.059220556e+00 -2.195416745e+00 -2.165946825e+00 3.26 -2.038409358e+00 -2.202715779e+00 -2.189589816e+00 3.28 -2.016344727e+00 -2.207396482e+00 -2.209084608e+00 3.30 -1.993164851e+00 -2.209648834e+00 -2.224654534e+00 3.32 -1.969005257e+00 -2.209677166e+00 -2.236510656e+00 3.34 -1.943993126e+00 -2.207642970e+00 -2.244853529e+00 3.36 -1.918246091e+00 -2.203651510e+00 -2.249875516e+00 3.38 -1.891865089e+00 -2.197764508e+00 -2.251763702e+00 3.40 -1.864936403e+00 -2.190044010e+00 -2.250703248e+00 3.42 -1.837530104e+00 -2.180557530e+00 -2.246938458e+00 3.44 -1.809705388e+00 -2.169375950e+00 -2.240673733e+00 3.46 -1.781506393e+00 -2.156574703e+00 -2.232048116e+00 3.48 -1.752969321e+00 -2.142232682e+00 -2.221222511e+00 3.50 -1.724123271e+00 -2.126431218e+00 -2.208376206e+00 3.52 -1.694996731e+00 -2.109250351e+00 -2.193710448e+00 3.54 -1.665614443e+00 -2.090760076e+00 -2.177430564e+00 3.56 -1.636003550e+00 -2.071026118e+00 -2.159746452e+00 3.58 -1.606193984e+00 -2.050115227e+00 -2.140861840e+00 3.60 -1.576219244e+00 -2.028096973e+00 -2.120966068e+00 3.62 -1.546116498e+00 -2.005043435e+00 -2.100223827e+00 3.64 -1.515926125e+00 -1.981029213e+00 -2.078761225e+00 3.66 -1.485690840e+00 -1.956131555e+00 -2.056679754e+00 3.68 -1.455454579e+00 -1.930430416e+00 -2.034060301e+00 3.70 -1.425261297e+00 -1.904008253e+00 -2.010965417e+00 3.72 -1.395153815e+00 -1.876949408e+00 -1.987442605e+00 3.74 -1.365172823e+00 -1.849338982e+00 -1.963527902e+00 3.76 -1.335356088e+00 -1.821261260e+00 -1.939249233e+00 3.78 -1.305737906e+00 -1.792797826e+00 -1.914629255e+00 3.80 -1.276348782e+00 -1.764025624e+00 -1.889687571e+00 3.82 -1.247215321e+00 -1.735015249e+00 -1.864442359e+00 3.84 -1.218360287e+00 -1.705829709e+00 -1.838911478e+00 3.86 -1.189802780e+00 -1.676523795e+00 -1.813113201e+00 3.88 -1.161558485e+00 -1.647144077e+00 -1.787066663e+00 3.90 -1.133639946e+00 -1.617729428e+00 -1.760792102e+00 3.92 -1.106055971e+00 -1.588310970e+00 -1.734309762e+00 3.94 -1.078815392e+00 -1.558917031e+00 -1.707644902e+00 3.96 -1.051921630e+00 -1.529568047e+00 -1.680819784e+00 3.98 -1.025376695e+00 -1.500281813e+00 -1.653859003e+00 4.00 -9.991801617e-01 -1.471073093e+00 -1.626787723e+00 4.02 -9.733291238e-01 -1.441954196e+00 -1.599631332e+00 4.04 -9.478181241e-01 -1.412935404e+00 -1.572415040e+00 4.06 -9.226390732e-01 -1.384025303e+00 -1.545163487e+00 4.08 -8.977811901e-01 -1.355231109e+00 -1.517900374e+00 4.10 -8.732309962e-01 -1.326556076e+00 -1.490648182e+00 4.12 -8.489723937e-01 -1.298012326e+00 -1.463427975e+00 4.14 -8.249868614e-01 -1.269602064e+00 -1.436259348e+00 4.16 -8.012538013e-01 -1.241331936e+00 -1.409160492e+00 4.18 -7.777510667e-01 -1.213210318e+00 -1.382148384e+00 4.20 -7.544533652e-01 -1.185248249e+00 -1.355239071e+00 4.22 -7.313429757e-01 -1.157460321e+00 -1.328448002e+00 4.24 -7.083956545e-01 -1.129865394e+00 -1.301790356e+00 4.26 -6.855927985e-01 -1.102487008e+00 -1.275281308e+00 4.28 -6.629202540e-01 -1.075353370e+00 -1.248936183e+00 4.30 -6.403700802e-01 -1.048496833e+00 -1.222770462e+00 4.32 -6.179423252e-01 -1.021952852e+00 -1.196799620e+00 4.34 -5.956466571e-01 -9.957584832e-01 -1.171038823e+00 4.36 -5.735031089e-01 -9.699505638e-01 -1.145502514e+00 4.38 -5.515451063e-01 -9.445637787e-01 -1.120203952e+00 4.40 -5.298158657e-01 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-1.875164384e-02 -6.494650510e-02 -9.606680689e-02 5.84 -1.780913773e-02 -6.208628074e-02 -9.194406744e-02 5.86 -1.689909590e-02 -5.926926933e-02 -8.786552192e-02 5.88 -1.601866058e-02 -5.649280532e-02 -8.382975495e-02 5.90 -1.516540604e-02 -5.375526800e-02 -7.983659438e-02 5.92 -1.433735016e-02 -5.105609812e-02 -7.588717226e-02 5.94 -1.353295645e-02 -4.839580034e-02 -7.198396345e-02 5.96 -1.275112627e-02 -4.577570784e-02 -6.813079413e-02 5.98 -1.199118136e-02 -4.319827593e-02 -6.433280984e-02 6.00 -1.125283635e-02 -4.066709347e-02 -6.059639735e-02