# 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 = Cu3Pd # 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 2.579594033e+06 nan nan 0.80 2.321339265e+06 nan nan 0.82 2.087895314e+06 nan nan 0.84 1.876385129e+06 nan nan 0.86 1.684325779e+06 2.470131841e+06 nan 0.88 1.509576616e+06 2.242141487e+06 2.524252338e+06 0.90 1.350228082e+06 2.034131715e+06 2.297546257e+06 0.92 1.204625819e+06 1.844017735e+06 2.090296477e+06 0.94 1.071352228e+06 1.669953063e+06 1.900528422e+06 0.96 9.491574089e+05 1.510293901e+06 1.726468732e+06 0.98 8.369184763e+05 1.363571396e+06 1.566507207e+06 1.00 7.336819449e+05 1.228541437e+06 1.419249336e+06 1.02 6.385787614e+05 1.104075980e+06 1.283467458e+06 1.04 5.508404934e+05 9.891557084e+05 1.158097212e+06 1.06 4.697690699e+05 8.829027473e+05 1.042171927e+06 1.08 3.947778100e+05 7.845217359e+05 9.348404366e+05 1.10 3.252946765e+05 6.933191665e+05 8.353313729e+05 1.12 2.612064210e+05 6.086908599e+05 7.429599749e+05 1.14 2.033068490e+05 5.300727685e+05 6.571143393e+05 1.16 1.573635015e+05 4.569286051e+05 5.772373584e+05 1.18 1.220550157e+05 3.887888378e+05 5.028208747e+05 1.20 9.485667376e+04 3.252559442e+05 4.334108689e+05 1.22 7.385436017e+04 2.662634177e+05 3.686102570e+05 1.24 5.759765639e+04 2.121727390e+05 3.080466079e+05 1.26 4.498855635e+04 1.676773116e+05 2.518136637e+05 1.28 3.518929768e+04 1.327465670e+05 2.008431356e+05 1.30 2.755762602e+04 1.052722303e+05 1.598008157e+05 1.32 2.160429596e+04 8.361563327e+04 1.273509818e+05 1.34 1.695416920e+04 6.650743559e+04 1.016468881e+05 1.36 1.331757375e+04 5.297027398e+04 8.125239490e+04 1.38 1.046876674e+04 4.224139975e+04 6.504465359e+04 1.40 8.233727130e+03 3.372382985e+04 5.213767080e+04 1.42 6.478592086e+03 2.695262914e+04 4.183746109e+04 1.44 5.099418030e+03 2.156234775e+04 3.360734588e+04 1.46 4.014884775e+03 1.726504398e+04 2.702160025e+04 1.48 3.161461637e+03 1.383337097e+04 2.174497501e+04 1.50 2.489228614e+03 1.108972564e+04 1.751259521e+04 1.52 1.959537650e+03 8.894571482e+03 1.411299836e+04 1.54 1.542124768e+03 7.136925094e+03 1.137946322e+04 1.56 1.213182236e+03 5.728384439e+03 9.179919194e+03 1.58 9.539684886e+02 4.598795573e+03 7.408809759e+03 1.60 7.497251772e+02 3.692273628e+03 5.981224746e+03 1.62 5.887848428e+02 2.964516194e+03 4.829775111e+03 1.64 4.619036781e+02 2.380126866e+03 3.900557216e+03 1.66 3.618957371e+02 1.910766865e+03 3.150378287e+03 1.68 2.831054940e+02 1.533606652e+03 2.544348928e+03 1.70 2.210674718e+02 1.230420737e+03 2.054504944e+03 1.72 1.722639742e+02 9.867229162e+02 1.658540907e+03 1.74 1.339090350e+02 7.908697902e+02 1.338461296e+03 1.76 1.037969176e+02 6.334994770e+02 1.079736365e+03 1.78 8.017456983e+01 5.070325556e+02 8.706075212e+02 1.80 6.165872083e+01 4.053846164e+02 7.015653754e+02 1.82 4.716516809e+01 3.237084606e+02 5.649267612e+02 1.84 3.583100699e+01 2.581209641e+02 4.545163623e+02 1.86 2.697822301e+01 2.054900674e+02 3.653351555e+02 1.88 2.007474086e+01 1.632883278e+02 2.933334488e+02 1.90 1.470025812e+01 1.294765883e+02 2.352014240e+02 1.92 1.052292763e+01 1.024096275e+02 1.882607908e+02 1.94 7.281171945e+00 8.075895724e+01 1.503885726e+02 1.96 4.769130631e+00 6.344781845e+01 1.198603251e+02 1.98 2.825088404e+00 4.962111327e+01 9.527531737e+01 2.00 1.322205022e+00 3.858620846e+01 7.549623763e+01 2.02 1.610667704e-01 2.978817166e+01 5.960010631e+01 2.04 -7.353653840e-01 2.278350573e+01 4.683622907e+01 2.06 -1.427059919e+00 1.721461214e+01 3.659233941e+01 2.08 -1.960635015e+00 1.279346064e+01 2.838092706e+01 2.10 -2.372217012e+00 9.287833104e+00 2.180767543e+01 2.12 -2.689708820e+00 6.511853903e+00 1.655295607e+01 2.14 -2.934571010e+00 4.316577235e+00 1.235797288e+01 2.16 -3.123209450e+00 2.582367001e+00 9.013441411e+00 2.18 -3.268167075e+00 1.213873761e+00 6.350342331e+00 2.20 -3.378946079e+00 1.352246727e-01 4.232372171e+00 2.22 -3.462795426e+00 -7.140076526e-01 2.549788236e+00 2.24 -3.525201147e+00 -1.381957649e+00 1.214220943e+00 2.26 -3.570246004e+00 -1.906871004e+00 1.546368333e-01 2.28 -3.601064849e+00 -2.319054699e+00 -6.851797892e-01 2.30 -3.620035737e+00 -2.642456633e+00 -1.350221461e+00 2.32 -3.628964440e+00 -2.895943351e+00 -1.876457308e+00 2.34 -3.629231441e+00 -3.094324628e+00 -2.292571000e+00 2.36 -3.621853430e+00 -3.249190502e+00 -2.621376081e+00 2.38 -3.607628455e+00 -3.369591244e+00 -2.880967025e+00 2.40 -3.587236296e+00 -3.462566295e+00 -3.085653634e+00 2.42 -3.561240177e+00 -3.533574478e+00 -3.246689854e+00 2.44 -3.530121681e+00 -3.586837655e+00 -3.372909531e+00 2.46 -3.494306142e+00 -3.625614396e+00 -3.471252540e+00 2.48 -3.454180751e+00 -3.652417166e+00 -3.547150705e+00 2.50 -3.410096219e+00 -3.669172407e+00 -3.604828418e+00 2.52 -3.362331038e+00 -3.677308657e+00 -3.647490451e+00 2.54 -3.311205316e+00 -3.677979232e+00 -3.677685037e+00 2.56 -3.257040759e+00 -3.672098888e+00 -3.697410270e+00 2.58 -3.200151543e+00 -3.660395376e+00 -3.708224810e+00 2.60 -3.140844984e+00 -3.643458067e+00 -3.711347913e+00 2.62 -3.079421463e+00 -3.621637879e+00 -3.707738631e+00 2.64 -3.016173882e+00 -3.595190570e+00 -3.698158195e+00 2.66 -2.951386866e+00 -3.564475606e+00 -3.683218843e+00 2.68 -2.885226942e+00 -3.529814398e+00 -3.663421766e+00 2.70 -2.817782034e+00 -3.491487256e+00 -3.639165392e+00 2.72 -2.749281480e+00 -3.449755643e+00 -3.610788001e+00 2.74 -2.679960808e+00 -3.404881935e+00 -3.578605940e+00 2.76 -2.610043944e+00 -3.357119119e+00 -3.542905531e+00 2.78 -2.539712800e+00 -3.306713308e+00 -3.503952209e+00 2.80 -2.469120452e+00 -3.253905132e+00 -3.461997027e+00 2.82 -2.398454610e+00 -3.198883699e+00 -3.417281139e+00 2.84 -2.327891415e+00 -3.141839679e+00 -3.370038752e+00 2.86 -2.257594895e+00 -3.082998291e+00 -3.320498916e+00 2.88 -2.187717069e+00 -3.022579420e+00 -3.268877602e+00 2.90 -2.118398134e+00 -2.960797184e+00 -3.215183392e+00 2.92 -2.049766709e+00 -2.897859424e+00 -3.159538010e+00 2.94 -1.981940153e+00 -2.833967181e+00 -3.102147414e+00 2.96 -1.915024914e+00 -2.769314175e+00 -3.043212912e+00 2.98 -1.849112994e+00 -2.704086333e+00 -2.982930786e+00 3.00 -1.784241034e+00 -2.638461376e+00 -2.921491849e+00 3.02 -1.720470968e+00 -2.572608476e+00 -2.859080985e+00 3.04 -1.657870634e+00 -2.506687990e+00 -2.795876699e+00 3.06 -1.596499403e+00 -2.440826049e+00 -2.732050702e+00 3.08 -1.536408650e+00 -2.375023329e+00 -2.667767543e+00 3.10 -1.477640636e+00 -2.309388237e+00 -2.603180746e+00 3.12 -1.420202135e+00 -2.244042102e+00 -2.538371387e+00 3.14 -1.364113208e+00 -2.179097822e+00 -2.473453937e+00 3.16 -1.309399571e+00 -2.114660010e+00 -2.408560927e+00 3.18 -1.256081242e+00 -2.050825184e+00 -2.343817075e+00 3.20 -1.204172963e+00 -1.987681979e+00 -2.279339293e+00 3.22 -1.153684608e+00 -1.925311393e+00 -2.215236755e+00 3.24 -1.104621574e+00 -1.863787047e+00 -2.151610989e+00 3.26 -1.056985158e+00 -1.803175471e+00 -2.088556016e+00 3.28 -1.010772910e+00 -1.743536393e+00 -2.026158519e+00 3.30 -9.659789767e-01 -1.684901254e+00 -1.964498036e+00 3.32 -9.225944218e-01 -1.627284545e+00 -1.903647179e+00 3.34 -8.806075288e-01 -1.570728833e+00 -1.843671873e+00 3.36 -8.400040880e-01 -1.515271528e+00 -1.784631609e+00 3.38 -8.007676648e-01 -1.460944815e+00 -1.726579711e+00 3.40 -7.628798514e-01 -1.407775957e+00 -1.669563610e+00 3.42 -7.263205011e-01 -1.355787595e+00 -1.613625122e+00 3.44 -6.910679476e-01 -1.304998042e+00 -1.558800737e+00 3.46 -6.570992081e-01 -1.255421567e+00 -1.505121901e+00 3.48 -6.243901714e-01 -1.207068681e+00 -1.452615300e+00 3.50 -5.929157726e-01 -1.159946399e+00 -1.401303140e+00 3.52 -5.626501533e-01 -1.114058506e+00 -1.351203425e+00 3.54 -5.335668098e-01 -1.069405805e+00 -1.302286858e+00 3.56 -5.056387281e-01 -1.025986357e+00 -1.254507980e+00 3.58 -4.788385085e-01 -9.837957082e-01 -1.207874842e+00 3.60 -4.531384786e-01 -9.428271106e-01 -1.162392758e+00 3.62 -4.285107960e-01 -9.030717273e-01 -1.118064275e+00 3.64 -4.049275421e-01 -8.645188292e-01 -1.074889392e+00 3.66 -3.823608066e-01 -8.271559797e-01 -1.032865756e+00 3.68 -3.607827633e-01 -7.909692099e-01 -9.919888588e-01 3.70 -3.401657384e-01 -7.559431825e-01 -9.522522202e-01 3.72 -3.204822719e-01 -7.220613458e-01 -9.136475611e-01 3.74 -3.017051716e-01 -6.893060786e-01 -8.761649704e-01 3.76 -2.838075611e-01 -6.576588242e-01 -8.397930605e-01 3.78 -2.667629226e-01 -6.271002169e-01 -8.045191151e-01 3.80 -2.505451333e-01 -5.976101983e-01 -7.703262739e-01 3.82 -2.351284979e-01 -5.691681262e-01 -7.371818696e-01 3.84 -2.204877758e-01 -5.417528750e-01 -7.050678338e-01 3.86 -2.065982050e-01 -5.153429286e-01 -6.739683593e-01 3.88 -1.934355214e-01 -4.899164661e-01 -6.438668998e-01 3.90 -1.809759749e-01 -4.654514407e-01 -6.147462698e-01 3.92 -1.691963430e-01 -4.419256517e-01 -5.865887360e-01 3.94 -1.580739402e-01 -4.193168110e-01 -5.593761040e-01 3.96 -1.475866262e-01 -3.976026032e-01 -5.330897972e-01 3.98 -1.377128105e-01 -3.767607408e-01 -5.077109311e-01 4.00 -1.284314560e-01 -3.567690142e-01 -4.832203810e-01 4.02 -1.197220799e-01 -3.376053365e-01 -4.595988452e-01 4.04 -1.115647531e-01 -3.192477840e-01 -4.368269022e-01 4.06 -1.039400980e-01 -3.016746334e-01 -4.148850643e-01 4.08 -9.679766602e-02 -2.848643937e-01 -3.937538256e-01 4.10 -9.002751443e-02 -2.687958353e-01 -3.734137067e-01 4.12 -8.361052672e-02 -2.534480160e-01 -3.538452947e-01 4.14 -7.753429830e-02 -2.388003030e-01 -3.350292800e-01 4.16 -7.178680622e-02 -2.248323928e-01 -3.169464892e-01 4.18 -6.635640189e-02 -2.115243281e-01 -2.995779150e-01 4.20 -6.123174995e-02 -1.988565122e-01 -2.829047430e-01 4.22 -5.640178876e-02 -1.868097214e-01 -2.669083754e-01 4.24 -5.185608950e-02 -1.753651150e-01 -2.515704526e-01 4.26 -4.758452496e-02 -1.645042434e-01 -2.368728715e-01 4.28 -4.357724747e-02 -1.542090548e-01 -2.227978025e-01 4.30 -3.982469799e-02 -1.444619000e-01 -2.093277033e-01 4.32 -3.631761137e-02 -1.352402270e-01 -1.964453318e-01 4.34 -3.304701975e-02 -1.264681542e-01 -1.841337561e-01 4.36 -3.000424868e-02 -1.181150889e-01 -1.723763640e-01 4.38 -2.718091584e-02 -1.101678008e-01 -1.611568697e-01 4.40 -2.456892775e-02 -1.026133958e-01 -1.504593201e-01 4.42 -2.216047396e-02 -9.543931375e-02 -1.402680994e-01 4.44 -1.994802033e-02 -8.863332533e-02 -1.305679320e-01 4.46 -1.792243799e-02 -8.218352898e-02 -1.213438854e-01 4.48 -1.604507141e-02 -7.607834683e-02 -1.125813713e-01 4.50 -1.429920194e-02 -7.030652059e-02 -1.042661456e-01 4.52 -1.268024555e-02 -6.485710738e-02 -9.638430850e-02 4.54 -1.118369741e-02 -5.971947408e-02 -8.892230307e-02 4.56 -9.805146853e-03 -5.488329120e-02 -8.186691328e-02 4.58 -8.540288936e-03 -5.033852906e-02 -7.520526173e-02 4.60 -7.384933120e-03 -4.607545211e-02 -6.892480672e-02 4.62 -6.335009509e-03 -4.208461314e-02 -6.301333811e-02 4.64 -5.386573048e-03 -3.835666349e-02 -5.745897374e-02 4.66 -4.535806022e-03 -3.487369455e-02 -5.225015534e-02 4.68 -3.779019135e-03 -3.161515723e-02 -4.737564381e-02 4.70 -3.112651435e-03 -2.857361438e-02 -4.282442490e-02 4.72 -2.533269276e-03 -2.574189513e-02 -3.858582718e-02 4.74 -2.037564523e-03 -2.311300437e-02 -3.464965656e-02 4.76 -1.622352140e-03 -2.068013094e-02 -3.100596916e-02 4.78 -1.284567301e-03 -1.843665198e-02 -2.764507761e-02 4.80 -1.019494934e-03 -1.637613554e-02 -2.455755644e-02 4.82 -7.957522556e-04 -1.449234145e-02 -2.173424403e-02 4.84 -6.018968457e-04 -1.277914325e-02 -1.916624282e-02 4.86 -4.369047643e-04 -1.123042173e-02 -1.684455148e-02 4.88 -2.997869670e-04 -9.840659328e-03 -1.476062124e-02 4.90 -1.895881939e-04 -8.604511484e-03 -1.290671030e-02 4.92 -1.053858768e-04 -7.516762972e-03 -1.127518291e-02 4.94 -4.628906742e-05 -6.572336292e-03 -9.858542416e-03 4.96 -1.143738682e-05 -5.766297396e-03 -8.649458802e-03 4.98 -9.498287535e-11 -5.093859560e-03 -7.640789340e-03 5.00 0.000000000e+00 -4.508656579e-03 -6.762984869e-03 5.02 0.000000000e+00 -3.966382348e-03 -5.949573522e-03 5.04 0.000000000e+00 -3.465486263e-03 -5.198229395e-03 5.06 0.000000000e+00 -3.004468987e-03 -4.506703481e-03 5.08 0.000000000e+00 -2.581881439e-03 -3.872822158e-03 5.10 0.000000000e+00 -2.196323964e-03 -3.294485947e-03 5.12 0.000000000e+00 -1.846445375e-03 -2.769668063e-03 5.14 0.000000000e+00 -1.530941870e-03 -2.296412805e-03 5.16 0.000000000e+00 -1.248555876e-03 -1.872833814e-03 5.18 0.000000000e+00 -9.980748232e-04 -1.497112235e-03 5.20 0.000000000e+00 -7.783298724e-04 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