# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = PdPt3 # 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 2026-08-31 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 7.247808056e+06 nan nan 0.80 6.587852208e+06 nan nan 0.82 5.992294485e+06 nan nan 0.84 5.453592444e+06 nan nan 0.86 4.965262935e+06 6.967235863e+06 nan 0.88 4.521684216e+06 6.384950940e+06 7.111736738e+06 0.90 4.117975144e+06 5.854574066e+06 6.532554004e+06 0.92 3.749863372e+06 5.370580693e+06 6.003868944e+06 0.94 3.413628121e+06 4.928095684e+06 5.520413897e+06 0.96 3.105999052e+06 4.522841757e+06 5.077535014e+06 0.98 2.824081071e+06 4.151090334e+06 4.671157376e+06 1.00 2.565327817e+06 3.809560523e+06 4.297678750e+06 1.02 2.327489042e+06 3.495343594e+06 3.953952026e+06 1.04 2.108576461e+06 3.205829615e+06 3.637167268e+06 1.06 1.906809452e+06 2.938691453e+06 3.344782329e+06 1.08 1.720620251e+06 2.691893161e+06 3.074559259e+06 1.10 1.548585498e+06 2.463590762e+06 2.824489718e+06 1.12 1.389451431e+06 2.252144759e+06 2.592793855e+06 1.14 1.242078852e+06 2.056092038e+06 2.377882450e+06 1.16 1.105463092e+06 1.874101137e+06 2.178320499e+06 1.18 9.786973700e+05 1.704990590e+06 1.992822087e+06 1.20 8.609473842e+05 1.547704948e+06 1.820216012e+06 1.22 7.514745305e+05 1.401286483e+06 1.659452885e+06 1.24 6.495995009e+05 1.264842184e+06 1.509582428e+06 1.26 5.547072712e+05 1.137575326e+06 1.369725950e+06 1.28 4.662548344e+05 1.018761977e+06 1.239097985e+06 1.30 3.837460395e+05 9.077549560e+05 1.116989636e+06 1.32 3.067147213e+05 8.039522968e+05 1.002752810e+06 1.34 2.388472290e+05 7.068013484e+05 8.957905873e+05 1.36 1.856172496e+05 6.158146463e+05 7.955709332e+05 1.38 1.443700318e+05 5.305459086e+05 7.016058291e+05 1.40 1.123809027e+05 4.505874691e+05 6.134463175e+05 1.42 8.754254072e+04 3.755617687e+05 5.306698898e+05 1.44 6.823724406e+04 3.051137837e+05 4.528997658e+05 1.46 5.321873253e+04 2.426211528e+05 3.797934737e+05 1.48 4.152509013e+04 1.924615546e+05 3.110352430e+05 1.50 3.241097575e+04 1.527655296e+05 2.489527710e+05 1.52 2.530231174e+04 1.213447927e+05 1.987654318e+05 1.54 1.975493456e+04 9.645037083e+04 1.587755863e+05 1.56 1.542418158e+04 7.670860120e+04 1.269150255e+05 1.58 1.204203438e+04 6.103751089e+04 1.015070215e+05 1.60 9.399996680e+03 4.858519118e+04 8.122686670e+04 1.62 7.335400188e+03 3.868300403e+04 6.502766711e+04 1.64 5.721767305e+03 3.080469660e+04 5.207852838e+04 1.66 4.460720373e+03 2.453380939e+04 4.172002970e+04 1.68 3.475422071e+03 1.954022520e+04 3.342939637e+04 1.70 2.705803032e+03 1.556248556e+04 2.679074055e+04 1.72 2.104882841e+03 1.239321762e+04 2.147256117e+04 1.74 1.635905443e+03 9.867691491e+03 1.721025135e+04 1.76 1.270104020e+03 7.854956713e+03 1.379323658e+04 1.78 9.849081203e+02 6.250846167e+03 1.105335931e+04 1.80 7.627025150e+02 4.972399583e+03 8.856060535e+03 1.82 5.897249464e+02 3.953418191e+03 7.093433155e+03 1.84 4.551955303e+02 3.141310555e+03 5.679352013e+03 1.86 3.506843309e+02 2.494281879e+03 4.545038642e+03 1.88 2.695897781e+02 1.978977479e+03 3.635318734e+03 1.90 2.067443556e+02 1.568769487e+03 2.905910661e+03 1.92 1.581042875e+02 1.242384273e+03 2.321258641e+03 1.94 1.205056617e+02 9.828064788e+02 1.852798537e+03 1.96 9.148265967e+01 7.765015914e+02 1.477608805e+03 1.98 6.911146485e+01 6.126690250e+02 1.177279106e+03 2.00 5.188859976e+01 4.826793314e+02 9.370165767e+02 2.02 3.864327808e+01 3.796393570e+02 7.449349299e+02 2.04 2.847027905e+01 2.980445935e+02 5.914708698e+02 2.06 2.066668087e+01 2.335011463e+02 4.689162834e+02 2.08 1.468666599e+01 1.825030830e+02 3.711117631e+02 2.10 1.010722222e+01 1.422489255e+02 2.931416217e+02 2.12 6.601232453e+00 1.105080386e+02 2.310540049e+02 2.14 3.916340440e+00 8.551090140e+01 1.816725454e+02 2.16 1.858369013e+00 6.584776103e+01 1.424457414e+02 2.18 2.783247688e-01 5.039889010e+01 1.113254557e+02 2.20 -9.377734322e-01 3.827793437e+01 8.666884053e+01 2.22 -1.876844171e+00 2.878096431e+01 6.715891331e+01 2.24 -2.604946436e+00 2.134930716e+01 5.174087084e+01 2.26 -3.172110632e+00 1.554027675e+01 3.957266100e+01 2.28 -3.616093187e+00 1.100369987e+01 2.998163486e+01 2.30 -3.965287662e+00 7.463103091e+00 2.243103606e+01 2.32 -4.240974584e+00 4.700645402e+00 1.649317123e+01 2.34 -4.459046492e+00 2.545055300e+00 1.182779031e+01 2.36 -4.631334281e+00 8.619587052e-01 8.164674756e+00 2.38 -4.766626758e+00 -4.537438980e-01 5.289623280e+00 2.40 -4.871484955e+00 -1.483976041e+00 3.033175195e+00 2.42 -4.950838748e+00 -2.292495829e+00 1.261332775e+00 2.44 -5.008394697e+00 -2.928774215e+00 -1.313151450e-01 2.46 -5.046979547e+00 -3.431075439e+00 -1.227313352e+00 2.48 -5.068800110e+00 -3.828900104e+00 -2.091265561e+00 2.50 -5.075612717e+00 -4.144918742e+00 -2.773736039e+00 2.52 -5.068855879e+00 -4.396498560e+00 -3.314182255e+00 2.54 -5.049746290e+00 -4.596905845e+00 -3.743299428e+00 2.56 -5.019347207e+00 -4.756250186e+00 -4.084891359e+00 2.58 -4.978616250e+00 -4.882223533e+00 -4.357360129e+00 2.60 -4.928437968e+00 -4.980676556e+00 -4.574889529e+00 2.62 -4.869645300e+00 -5.056066284e+00 -4.748382753e+00 2.64 -4.803033048e+00 -5.111802124e+00 -4.886203214e+00 2.66 -4.729365723e+00 -5.150511930e+00 -4.994757931e+00 2.68 -4.649381519e+00 -5.174245329e+00 -5.078955271e+00 2.70 -4.563780922e+00 -5.184618756e+00 -5.142548916e+00 2.72 -4.473226865e+00 -5.182930862e+00 -5.188419344e+00 2.74 -4.378349775e+00 -5.170254210e+00 -5.218796918e+00 2.76 -4.279779034e+00 -5.147522222e+00 -5.235450097e+00 2.78 -4.178116370e+00 -5.115557776e+00 -5.239793252e+00 2.80 -4.073933074e+00 -5.075105300e+00 -5.232980922e+00 2.82 -3.967768728e+00 -5.026813209e+00 -5.215979443e+00 2.84 -3.860130252e+00 -4.971260476e+00 -5.189620241e+00 2.86 -3.751491292e+00 -4.908977408e+00 -5.154638931e+00 2.88 -3.642291953e+00 -4.840541587e+00 -5.111703536e+00 2.90 -3.532926000e+00 -4.766515374e+00 -5.061434415e+00 2.92 -3.423652855e+00 -4.687444069e+00 -5.004417944e+00 2.94 -3.314784001e+00 -4.603856548e+00 -4.941215550e+00 2.96 -3.206626539e+00 -4.516265052e+00 -4.872369336e+00 2.98 -3.099453174e+00 -4.425164446e+00 -4.798405251e+00 3.00 -2.993450042e+00 -4.331031229e+00 -4.719834546e+00 3.02 -2.888806177e+00 -4.234322452e+00 -4.637154068e+00 3.04 -2.785702281e+00 -4.135474679e+00 -4.550845813e+00 3.06 -2.684311439e+00 -4.034903075e+00 -4.461376048e+00 3.08 -2.584784604e+00 -3.933000657e+00 -4.369194217e+00 3.10 -2.487250484e+00 -3.830137760e+00 -4.274727929e+00 3.12 -2.391791707e+00 -3.726661694e+00 -4.178313480e+00 3.14 -2.298491250e+00 -3.622896624e+00 -4.080257612e+00 3.16 -2.207426533e+00 -3.519143633e+00 -3.980827000e+00 3.18 -2.118659744e+00 -3.415680973e+00 -3.880359978e+00 3.20 -2.032239094e+00 -3.312764470e+00 -3.779177099e+00 3.22 -1.948200025e+00 -3.210628072e+00 -3.677578779e+00 3.24 -1.866566358e+00 -3.109484515e+00 -3.575845309e+00 3.26 -1.787351381e+00 -3.009526083e+00 -3.474237017e+00 3.28 -1.710558887e+00 -2.910925452e+00 -3.372994557e+00 3.30 -1.636184138e+00 -2.813816554e+00 -3.272339325e+00 3.32 -1.564214774e+00 -2.718298328e+00 -3.172473964e+00 3.34 -1.494631668e+00 -2.624410103e+00 -3.073582966e+00 3.36 -1.427409708e+00 -2.532233829e+00 -2.975833338e+00 3.38 -1.362518534e+00 -2.441860393e+00 -2.879375327e+00 3.40 -1.299923214e+00 -2.353367342e+00 -2.784343184e+00 3.42 -1.239584867e+00 -2.266819783e+00 -2.690855964e+00 3.44 -1.181461235e+00 -2.182271266e+00 -2.599018336e+00 3.46 -1.125507207e+00 -2.099764641e+00 -2.508921412e+00 3.48 -1.071675300e+00 -2.019332892e+00 -2.420643571e+00 3.50 -1.019916092e+00 -1.940999931e+00 -2.334251275e+00 3.52 -9.701786194e-01 -1.864781365e+00 -2.249799878e+00 3.54 -9.224107319e-01 -1.790685224e+00 -2.167334412e+00 3.56 -8.765594157e-01 -1.718712654e+00 -2.086890351e+00 3.58 -8.325710827e-01 -1.648858568e+00 -2.008494354e+00 3.60 -7.903918287e-01 -1.581112271e+00 -1.932164972e+00 3.62 -7.499676647e-01 -1.515458031e+00 -1.857913333e+00 3.64 -7.112447207e-01 -1.451875627e+00 -1.785743787e+00 3.66 -6.741694269e-01 -1.390340855e+00 -1.715654524e+00 3.68 -6.386886722e-01 -1.330826002e+00 -1.647638159e+00 3.70 -6.047499432e-01 -1.273300280e+00 -1.581682278e+00 3.72 -5.723014441e-01 -1.217730235e+00 -1.517769959e+00 3.74 -5.412922005e-01 -1.164080121e+00 -1.455880254e+00 3.76 -5.116721478e-01 -1.112312248e+00 -1.395988643e+00 3.78 -4.833922057e-01 -1.062387293e+00 -1.338067456e+00 3.80 -4.564043402e-01 -1.014264595e+00 -1.282083392e+00 3.82 -4.306616147e-01 -9.679024187e-01 -1.227986386e+00 3.84 -4.061182301e-01 -9.232581967e-01 -1.175724381e+00 3.86 -3.827295570e-01 -8.802887478e-01 -1.125223033e+00 3.88 -3.604521585e-01 -8.389504763e-01 -1.076444973e+00 3.90 -3.392438065e-01 -7.991995512e-01 -1.029353740e+00 3.92 -3.190634917e-01 -7.609920670e-01 -9.839118870e-01 3.94 -2.998714265e-01 -7.242841883e-01 -9.400811896e-01 3.96 -2.816290451e-01 -6.890322788e-01 -8.978228338e-01 3.98 -2.642989965e-01 -6.551930153e-01 -8.570975899e-01 4.00 -2.478451360e-01 -6.227234895e-01 -8.178659696e-01 4.02 -2.322325118e-01 -5.915812964e-01 -7.800883669e-01 4.04 -2.174273492e-01 -5.617246124e-01 -7.437251858e-01 4.06 -2.033970320e-01 -5.331122626e-01 -7.087369547e-01 4.08 -1.901100827e-01 -5.057037789e-01 -6.750844287e-01 4.10 -1.775361392e-01 -4.794594491e-01 -6.427286806e-01 4.12 -1.656459318e-01 -4.543403587e-01 -6.116311812e-01 4.14 -1.544112579e-01 -4.303084252e-01 -5.817538708e-01 4.16 -1.438049559e-01 -4.073264259e-01 -5.530592208e-01 4.18 -1.338008789e-01 -3.853580200e-01 -5.255102880e-01 4.20 -1.243738669e-01 -3.643677654e-01 -4.990707613e-01 4.22 -1.154997195e-01 -3.443211302e-01 -4.737050006e-01 4.24 -1.071551677e-01 -3.251845011e-01 -4.493780714e-01 4.26 -9.931784651e-02 -3.069251865e-01 -4.260557716e-01 4.28 -9.196626633e-02 -2.895114173e-01 -4.037046543e-01 4.30 -8.507978564e-02 -2.729123443e-01 -3.822920461e-01 4.32 -7.863858331e-02 -2.570980324e-01 -3.617860599e-01 4.34 -7.262363087e-02 -2.420394535e-01 -3.421556054e-01 4.36 -6.701666604e-02 -2.277084762e-01 -3.233703949e-01 4.38 -6.180016622e-02 -2.140778546e-01 -3.054009464e-01 4.40 -5.695732292e-02 -2.011212147e-01 -2.882185843e-01 4.42 -5.247137120e-02 -1.888130402e-01 -2.717954370e-01 4.44 -4.828540016e-02 -1.771286567e-01 -2.561044325e-01 4.46 -4.436222413e-02 -1.660442149e-01 -2.411192923e-01 4.48 -4.069099860e-02 -1.555366736e-01 -2.268145230e-01 4.50 -3.726129369e-02 -1.455837811e-01 -2.131654070e-01 4.52 -3.406308157e-02 -1.361640569e-01 -2.001479915e-01 4.54 -3.108672540e-02 -1.272567725e-01 -1.877390766e-01 4.56 -2.832294933e-02 -1.188419325e-01 -1.759162019e-01 4.58 -2.576237746e-02 -1.109002545e-01 -1.646576332e-01 4.60 -2.339650960e-02 -1.034131502e-01 -1.539423473e-01 4.62 -2.121741427e-02 -9.636270521e-02 -1.437500175e-01 4.64 -1.921741165e-02 -8.973165994e-02 -1.340609977e-01 4.66 -1.738907993e-02 -8.349027426e-02 -1.248563064e-01 4.68 -1.572525842e-02 -7.760456683e-02 -1.161176107e-01 4.70 -1.421904816e-02 -7.204984009e-02 -1.078272096e-01 4.72 -1.286381035e-02 -6.678710589e-02 -9.996801793e-02 4.74 -1.165316320e-02 -6.180372807e-02 -9.252354913e-02 4.76 -1.058097734e-02 -5.708879388e-02 -8.547789922e-02 4.78 -9.641370219e-03 -5.263179825e-02 -7.881572999e-02 4.80 -8.826069534e-03 -4.842262867e-02 -7.252225268e-02 4.82 -8.087175735e-03 -4.445155147e-02 -6.658321181e-02 4.84 -7.406505134e-03 -4.070920040e-02 -6.098486875e-02 4.86 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