# 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 = Ag3Pt # 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 3.301544041e+02 nan nan 1.16 3.043866088e+02 nan nan 1.18 2.806750232e+02 nan nan 1.20 2.588312099e+02 nan nan 1.22 2.386868179e+02 nan nan 1.24 2.200934374e+02 nan nan 1.26 2.029177519e+02 nan nan 1.28 1.870382944e+02 2.874934185e+02 3.284857270e+02 1.30 1.723449210e+02 2.668227711e+02 3.055105427e+02 1.32 1.587378942e+02 2.476219496e+02 2.841549908e+02 1.34 1.461262148e+02 2.297821149e+02 2.642862188e+02 1.36 1.344271072e+02 2.132054592e+02 2.457833175e+02 1.38 1.235667071e+02 1.977982005e+02 2.285392876e+02 1.40 1.134801119e+02 1.834679046e+02 2.124626039e+02 1.42 1.041098828e+02 1.701259408e+02 1.974745233e+02 1.44 9.540414114e+01 1.576917562e+02 1.835027047e+02 1.46 8.731569399e+01 1.460956995e+02 1.704760038e+02 1.48 7.980185385e+01 1.352788327e+02 1.583239643e+02 1.50 7.282348335e+01 1.251899521e+02 1.469798422e+02 1.52 6.634315668e+01 1.157816155e+02 1.363837385e+02 1.54 6.036958261e+01 1.070073373e+02 1.264834419e+02 1.56 5.490115046e+01 9.882092476e+01 1.172326393e+02 1.58 4.989057442e+01 9.117733742e+01 1.085879456e+02 1.60 4.529550949e+01 8.403388032e+01 1.005068880e+02 1.62 4.107874638e+01 7.735108092e+01 9.294791725e+01 1.64 3.720770003e+01 7.109326214e+01 8.587179431e+01 1.66 3.365380014e+01 6.522897367e+01 7.924300547e+01 1.68 3.039185645e+01 5.977073895e+01 7.303032214e+01 1.70 2.739939874e+01 5.472845050e+01 6.720637685e+01 1.72 2.465599718e+01 5.007328306e+01 6.176320893e+01 1.74 2.214260310e+01 4.577820996e+01 5.672509828e+01 1.76 1.984102789e+01 4.181708122e+01 5.206579162e+01 1.78 1.773370836e+01 3.816421752e+01 4.775634335e+01 1.80 1.580380201e+01 3.479477170e+01 4.376951359e+01 1.82 1.403550066e+01 3.168541334e+01 4.007988698e+01 1.84 1.241437677e+01 2.881482738e+01 3.666400991e+01 1.86 1.092759326e+01 2.616382176e+01 3.350049184e+01 1.88 9.563890408e+00 2.371514282e+01 3.057002642e+01 1.90 8.313384262e+00 2.145319572e+01 2.785527292e+01 1.92 7.167295384e+00 1.936380290e+01 2.534059325e+01 1.94 6.117715442e+00 1.743403313e+01 2.301173305e+01 1.96 5.157450593e+00 1.565207578e+01 2.085555405e+01 1.98 4.279926112e+00 1.400712756e+01 1.885985298e+01 2.00 3.479120997e+00 1.248927421e+01 1.701323933e+01 2.02 2.749506953e+00 1.108936832e+01 1.530504744e+01 2.04 2.085976549e+00 9.798918521e+00 1.372528754e+01 2.06 1.483756391e+00 8.610003344e+00 1.226464154e+01 2.08 9.383138012e-01 7.515210380e+00 1.091448377e+01 2.10 4.452776889e-01 6.507592269e+00 9.666889436e+00 2.12 3.993318685e-04 5.580634203e+00 8.514603680e+00 2.14 -4.004312719e-01 4.728234880e+00 7.450970236e+00 2.16 -7.611226651e-01 3.944704149e+00 6.469840512e+00 2.18 -1.085533844e+00 3.224774178e+00 5.565490050e+00 2.20 -1.378460187e+00 2.563613685e+00 4.732559430e+00 2.22 -1.642631971e+00 1.956833123e+00 3.966020264e+00 2.24 -1.880167569e+00 1.400473383e+00 3.261156447e+00 2.26 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-3.219469554e+00 -3.086746787e+00 -2.862704524e+00 2.64 -3.193039140e+00 -3.137664976e+00 -2.961953899e+00 2.66 -3.161957055e+00 -3.180011775e+00 -3.047983619e+00 2.68 -3.126560459e+00 -3.214553852e+00 -3.121442297e+00 2.70 -3.087154939e+00 -3.241909109e+00 -3.182961236e+00 2.72 -3.044148925e+00 -3.262567943e+00 -3.233179083e+00 2.74 -2.998022805e+00 -3.276919589e+00 -3.272764709e+00 2.76 -2.949296613e+00 -3.285279419e+00 -3.302435615e+00 2.78 -2.898500301e+00 -3.287913736e+00 -3.322968290e+00 2.80 -2.846149825e+00 -3.285060278e+00 -3.335197268e+00 2.82 -2.792740038e+00 -3.276944508e+00 -3.340001470e+00 2.84 -2.738710050e+00 -3.263793084e+00 -3.338279425e+00 2.86 -2.684415511e+00 -3.245846291e+00 -3.330917730e+00 2.88 -2.630135615e+00 -3.223513503e+00 -3.318758313e+00 2.90 -2.576158828e+00 -3.197191990e+00 -3.302569449e+00 2.92 -2.522700718e+00 -3.167013097e+00 -3.283023760e+00 2.94 -2.469870753e+00 -3.133195641e+00 -3.260687408e+00 2.96 -2.417705279e+00 -3.096047579e+00 -3.236245035e+00 2.98 -2.366196891e+00 -3.055949249e+00 -3.209989036e+00 3.00 -2.315316959e+00 -3.013328710e+00 -3.181931216e+00 3.02 -2.265030894e+00 -2.968631978e+00 -3.152071296e+00 3.04 -2.215307239e+00 -2.922292993e+00 -3.120402757e+00 3.06 -2.166122238e+00 -2.874712090e+00 -3.086920030e+00 3.08 -2.117461492e+00 -2.826247214e+00 -3.051624923e+00 3.10 -2.069319973e+00 -2.777194290e+00 -3.014531033e+00 3.12 -2.021701184e+00 -2.727780180e+00 -2.975665907e+00 3.14 -1.974615939e+00 -2.678198763e+00 -2.935075054e+00 3.16 -1.928080929e+00 -2.628645573e+00 -2.892828742e+00 3.18 -1.882117143e+00 -2.579252065e+00 -2.849006829e+00 3.20 -1.836748140e+00 -2.530093726e+00 -2.803694225e+00 3.22 -1.791998222e+00 -2.481207850e+00 -2.756979481e+00 3.24 -1.747890582e+00 -2.432608019e+00 -2.708953909e+00 3.26 -1.704445579e+00 -2.384295318e+00 -2.659713996e+00 3.28 -1.661679281e+00 -2.336266588e+00 -2.609404744e+00 3.30 -1.619602443e+00 -2.288520156e+00 -2.558208537e+00 3.32 -1.578220032e+00 -2.241059509e+00 -2.506305054e+00 3.34 -1.537531348e+00 -2.193895341e+00 -2.453873828e+00 3.36 -1.497530732e+00 -2.147046340e+00 -2.401097445e+00 3.38 -1.458208756e+00 -2.100538998e+00 -2.348163192e+00 3.40 -1.419553753e+00 -2.054406695e+00 -2.295262677e+00 3.42 -1.381553458e+00 -2.008688267e+00 -2.242589154e+00 3.44 -1.344196601e+00 -1.963426252e+00 -2.190332802e+00 3.46 -1.307474159e+00 -1.918665009e+00 -2.138674628e+00 3.48 -1.271380236e+00 -1.874448844e+00 -2.087780073e+00 3.50 -1.235912407e+00 -1.830820283e+00 -2.037793368e+00 3.52 -1.201071565e+00 -1.787818549e+00 -1.988833511e+00 3.54 -1.166861317e+00 -1.745478318e+00 -1.940992101e+00 3.56 -1.133287068e+00 -1.703828738e+00 -1.894333034e+00 3.58 -1.100354906e+00 -1.662892720e+00 -1.848893566e+00 3.60 -1.068070442e+00 -1.622686480e+00 -1.804686340e+00 3.62 -1.036437714e+00 -1.583219296e+00 -1.761701991e+00 3.64 -1.005458237e+00 -1.544493476e+00 -1.719912142e+00 3.66 -9.751302592e-01 -1.506504521e+00 -1.679272634e+00 3.68 -9.454482347e-01 -1.469241462e+00 -1.639726915e+00 3.70 -9.164025257e-01 -1.432687381e+00 -1.601209473e+00 3.72 -8.879793040e-01 -1.396820111e+00 -1.563649189e+00 3.74 -8.601606402e-01 -1.361613079e+00 -1.526972503e+00 3.76 -8.329247520e-01 -1.327036292e+00 -1.491106298e+00 3.78 -8.062463924e-01 -1.293057406e+00 -1.455980434e+00 3.80 -7.800973627e-01 -1.259642822e+00 -1.421529896e+00 3.82 -7.544471396e-01 -1.226758762e+00 -1.387696519e+00 3.84 -7.292636108e-01 -1.194372225e+00 -1.354430267e+00 3.86 -7.045139167e-01 -1.162451805e+00 -1.321690050e+00 3.88 -6.801653925e-01 -1.130968296e+00 -1.289444063e+00 3.90 -6.561865973e-01 -1.099895101e+00 -1.257669666e+00 3.92 -6.325484027e-01 -1.069208448e+00 -1.226352845e+00 3.94 -6.092250976e-01 -1.038887486e+00 -1.195487318e+00 3.96 -5.861954162e-01 -1.008914297e+00 -1.165073351e+00 3.98 -5.634434110e-01 -9.792739655e-01 -1.135116433e+00 4.00 -5.409590310e-01 -9.499547390e-01 -1.105625868e+00 4.02 -5.187382952e-01 -9.209483772e-01 -1.076613403e+00 4.04 -4.967829706e-01 -8.922507099e-01 -1.048091951e+00 4.06 -4.750997365e-01 -8.638623951e-01 -1.020074485e+00 4.08 -4.536989080e-01 -8.357898126e-01 -9.925731163e-01 4.10 -4.325929083e-01 -8.080459679e-01 -9.655983678e-01 4.12 -4.117947695e-01 -7.806512758e-01 -9.391586476e-01 4.14 -3.913169928e-01 -7.536339523e-01 -9.132598902e-01 4.16 -3.711710715e-01 -7.270299475e-01 -8.879053454e-01 4.18 -3.513678762e-01 -7.008821930e-01 -8.630954839e-01 4.20 -3.319189297e-01 -6.752391481e-01 -8.388279904e-01 4.22 -3.128384127e-01 -6.501526865e-01 -8.150978181e-01 4.24 -2.941455169e-01 -6.256754860e-01 -7.918972813e-01 4.26 -2.758667115e-01 -6.018581645e-01 -7.692161687e-01 4.28 -2.580373763e-01 -5.787464461e-01 -7.470418622e-01 4.30 -2.407023685e-01 -5.563786276e-01 -7.253594529e-01 4.32 -2.239152325e-01 -5.347835523e-01 -7.041518471e-01 4.34 -2.077359896e-01 -5.139792158e-01 -6.833998610e-01 4.36 -1.922276908e-01 -4.939720365e-01 -6.630823035e-01 4.38 -1.774521552e-01 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-6.720397093e-05 -3.262075718e-04 -4.881757880e-04 5.82 -5.829995060e-05 -2.836834274e-04 -4.245343371e-04 5.84 -5.060031439e-05 -2.468313401e-04 -3.693820849e-04 5.86 -4.393925789e-05 -2.148792709e-04 -3.215634918e-04 5.88 -3.817409949e-05 -1.871619890e-04 -2.800828876e-04 5.90 -3.318203795e-05 -1.631061445e-04 -2.440821280e-04 5.92 -2.885736149e-05 -1.422174275e-04 -2.128213741e-04 5.94 -2.510904742e-05 -1.240695277e-04 -1.856625677e-04 5.96 -2.185869881e-05 -1.082946448e-04 -1.620552255e-04 5.98 -1.903877165e-05 -9.457533274e-05 -1.415242329e-04 6.00 -1.659105225e-05 -8.263749168e-05 -1.236593536e-04