# 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 = AuNi3 # 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 5.188993734e+06 nan nan 0.80 4.672051417e+06 nan nan 0.82 4.205243493e+06 nan nan 0.84 3.782740086e+06 nan nan 0.86 3.399505594e+06 4.969349908e+06 nan 0.88 3.051135992e+06 4.513105259e+06 5.080019122e+06 0.90 2.733826825e+06 4.097301260e+06 4.626290039e+06 0.92 2.444275038e+06 3.717655802e+06 4.211934532e+06 0.94 2.179585811e+06 3.370367667e+06 3.832857383e+06 0.96 1.937198289e+06 3.052104762e+06 3.485388406e+06 0.98 1.714884818e+06 2.759970377e+06 3.166364734e+06 1.00 1.510669910e+06 2.491364509e+06 2.872958362e+06 1.02 1.322796777e+06 2.244023140e+06 2.602728178e+06 1.04 1.149711295e+06 2.015942149e+06 2.353477142e+06 1.06 9.900520787e+05 1.805328679e+06 2.123278910e+06 1.08 8.425656046e+05 1.610617932e+06 1.910398850e+06 1.10 7.061610976e+05 1.430390347e+06 1.713280871e+06 1.12 5.798464153e+05 1.263344271e+06 1.530532730e+06 1.14 4.627412562e+05 1.108326128e+06 1.360883255e+06 1.16 3.566515060e+05 9.642963292e+05 1.203209157e+06 1.18 2.735986035e+05 8.303468143e+05 1.056515746e+06 1.20 2.102550927e+05 7.056214314e+05 9.198871811e+05 1.22 1.618427136e+05 5.893672949e+05 7.925116542e+05 1.24 1.247676124e+05 4.809205708e+05 6.736589913e+05 1.26 9.631464244e+04 3.804434929e+05 5.626633187e+05 1.28 7.444021266e+04 2.981428533e+05 4.589008427e+05 1.30 5.759688743e+04 2.340026385e+05 3.637357458e+05 1.32 4.460782423e+04 1.839197598e+05 2.870727946e+05 1.34 3.457642044e+04 1.447455430e+05 2.269006476e+05 1.36 2.681822335e+04 1.140516338e+05 1.795835038e+05 1.38 2.081114793e+04 8.996542993e+04 1.423008812e+05 1.40 1.615591082e+04 7.103721340e+04 1.128805745e+05 1.42 1.254553491e+04 5.614177197e+04 8.963136178e+04 1.44 9.743541653e+03 4.440196054e+04 7.123402809e+04 1.46 7.567268016e+03 3.513800147e+04 5.665957457e+04 1.48 5.876055978e+03 2.782142225e+04 4.509922229e+04 1.50 4.561538060e+03 2.203764404e+04 3.591932616e+04 1.52 3.539719925e+03 1.746161306e+04 2.862351121e+04 1.54 2.745433509e+03 1.383898290e+04 2.282045574e+04 1.56 2.128053863e+03 1.096957098e+04 1.820048140e+04 1.58 1.648206413e+03 8.695692164e+03 1.451948220e+04 1.60 1.275259755e+03 6.893108092e+03 1.158467960e+04 1.62 9.855124171e+02 5.463724142e+03 9.243812881e+03 1.64 7.605233144e+02 4.329685338e+03 7.375466622e+03 1.66 5.859481493e+02 3.429652016e+03 5.883625339e+03 1.68 4.506217870e+02 2.715265369e+03 4.692281491e+03 1.70 3.458204557e+02 2.148323397e+03 3.740867079e+03 1.72 2.647451027e+02 1.698506546e+03 2.981033007e+03 1.74 2.020976635e+02 1.341633966e+03 2.374207516e+03 1.76 1.537625793e+02 1.058601294e+03 1.889668762e+03 1.78 1.165328543e+02 8.342685268e+02 1.502886354e+03 1.80 8.790146610e+01 6.565871141e+02 1.194238751e+03 1.82 6.592426212e+01 5.159679170e+02 9.480427195e+02 1.84 4.908967927e+01 4.047793115e+02 7.517591384e+02 1.86 3.622390668e+01 3.169481824e+02 5.952766993e+02 1.88 2.641382162e+01 2.476422359e+02 4.706075923e+02 1.90 1.895154372e+01 1.929963810e+02 3.713672580e+02 1.92 1.328866278e+01 1.499563815e+02 2.924493022e+02 1.94 9.001061927e+00 1.161054101e+02 2.297673136e+02 1.96 5.761514779e+00 8.951574263e+01 1.800453735e+02 1.98 3.318206912e+00 6.866719844e+01 1.406585424e+02 2.00 1.477901730e+00 5.235138852e+01 1.095018324e+02 2.02 9.275379641e-02 3.960734821e+01 8.489198009e+01 2.04 -9.498274703e-01 2.967382213e+01 6.548631522e+01 2.06 -1.735324476e+00 2.194754685e+01 5.021157196e+01 2.08 -2.328373073e+00 1.595099864e+01 3.821061720e+01 2.10 -2.777573249e+00 1.130683424e+01 2.879971031e+01 2.12 -3.119225840e+00 7.717192838e+00 2.143412467e+01 2.14 -3.380373368e+00 4.947851862e+00 1.568015773e+01 2.16 -3.581048341e+00 2.815145793e+00 1.119278234e+01 2.18 -3.735996628e+00 1.175143963e+00 7.699653769e+00 2.20 -3.855958087e+00 -8.468712987e-02 4.984588052e+00 2.22 -3.948778623e+00 -1.051931160e+00 2.878098953e+00 2.24 -4.020135492e+00 -1.794522596e+00 1.246456928e+00 2.26 -4.074107378e+00 -2.365056490e+00 -1.571658916e-02 2.28 -4.113612330e+00 -2.804023068e+00 -9.912148898e-01 2.30 -4.140737258e+00 -3.142498737e+00 -1.744877153e+00 2.32 -4.156983783e+00 -3.404239881e+00 -2.327314793e+00 2.34 -4.163449884e+00 -3.607312069e+00 -2.777858893e+00 2.36 -4.160962483e+00 -3.765376213e+00 -3.126949311e+00 2.38 -4.150172813e+00 -3.888701083e+00 -3.398047660e+00 2.40 -4.131623702e+00 -3.984957907e+00 -3.609148354e+00 2.42 -4.105795899e+00 -4.059841725e+00 -3.773979930e+00 2.44 -4.073120911e+00 -4.117538513e+00 -3.902929573e+00 2.46 -4.033991574e+00 -4.161087814e+00 -4.003779525e+00 2.48 -3.988794564e+00 -4.192740916e+00 -4.082414854e+00 2.50 -3.937940880e+00 -4.214148325e+00 -4.143230904e+00 2.52 -3.881874285e+00 -4.226523080e+00 -4.189489760e+00 2.54 -3.821043257e+00 -4.230755000e+00 -4.223565169e+00 2.56 -3.755899098e+00 -4.227389820e+00 -4.247211747e+00 2.58 -3.686893091e+00 -4.216926197e+00 -4.261743248e+00 2.60 -3.614458841e+00 -4.199804619e+00 -4.268135226e+00 2.62 -3.538887361e+00 -4.176404353e+00 -4.267122222e+00 2.64 -3.460563462e+00 -4.147069168e+00 -4.259270971e+00 2.66 -3.379897426e+00 -4.112124949e+00 -4.245034842e+00 2.68 -3.297284482e+00 -4.071891204e+00 -4.224793730e+00 2.70 -3.213095666e+00 -4.026688050e+00 -4.198882697e+00 2.72 -3.127643989e+00 -3.976839911e+00 -4.167612022e+00 2.74 -3.041260295e+00 -3.922676885e+00 -4.131280727e+00 2.76 -2.954263545e+00 -3.864534494e+00 -4.090185229e+00 2.78 -2.866952150e+00 -3.802752375e+00 -4.044624379e+00 2.80 -2.779603675e+00 -3.737672335e+00 -3.994901908e+00 2.82 -2.692473878e+00 -3.669635264e+00 -3.941217935e+00 2.84 -2.605778457e+00 -3.598962515e+00 -3.883745607e+00 2.86 -2.519724815e+00 -3.525980228e+00 -3.822780771e+00 2.88 -2.434508977e+00 -3.451014528e+00 -3.758629782e+00 2.90 -2.350307932e+00 -3.374382478e+00 -3.691598842e+00 2.92 -2.267280364e+00 -3.296390357e+00 -3.621992109e+00 2.94 -2.185567456e+00 -3.217332195e+00 -3.550109813e+00 2.96 -2.105293763e+00 -3.137447840e+00 -3.476246458e+00 2.98 -2.026568107e+00 -3.056941203e+00 -3.400689169e+00 3.00 -1.949484516e+00 -2.975948034e+00 -3.323716223e+00 3.02 -1.874123153e+00 -2.894680247e+00 -3.245595778e+00 3.04 -1.800551258e+00 -2.813353463e+00 -3.166584814e+00 3.06 -1.728824069e+00 -2.732168479e+00 -3.086928277e+00 3.08 -1.658985730e+00 -2.651311375e+00 -3.006858426e+00 3.10 -1.591070165e+00 -2.570953730e+00 -2.926594356e+00 3.12 -1.525101933e+00 -2.491252937e+00 -2.846341708e+00 3.14 -1.461074340e+00 -2.412352593e+00 -2.766292516e+00 3.16 -1.398957208e+00 -2.334382955e+00 -2.686625200e+00 3.18 -1.338752463e+00 -2.257461455e+00 -2.607504679e+00 3.20 -1.280456502e+00 -2.181693248e+00 -2.529082586e+00 3.22 -1.224060134e+00 -2.107171790e+00 -2.451497566e+00 3.24 -1.169549178e+00 -2.033979441e+00 -2.374875650e+00 3.26 -1.116900447e+00 -1.962188076e+00 -2.299320017e+00 3.28 -1.066061763e+00 -1.891859702e+00 -2.224862105e+00 3.30 -1.017003164e+00 -1.823047070e+00 -2.151579957e+00 3.32 -9.696973067e-01 -1.755794287e+00 -2.079554243e+00 3.34 -9.241142509e-01 -1.690137408e+00 -2.008855868e+00 3.36 -8.802218342e-01 -1.626105022e+00 -1.939546507e+00 3.38 -8.379860117e-01 -1.563718811e+00 -1.871679155e+00 3.40 -7.973711691e-01 -1.502994097e+00 -1.805298661e+00 3.42 -7.583404080e-01 -1.443940361e+00 -1.740442266e+00 3.44 -7.208558065e-01 -1.386561744e+00 -1.677128217e+00 3.46 -6.848786547e-01 -1.330847615e+00 -1.615316255e+00 3.48 -6.503696688e-01 -1.276755317e+00 -1.555015586e+00 3.50 -6.172891838e-01 -1.224273633e+00 -1.496239652e+00 3.52 -5.855973265e-01 -1.173391625e+00 -1.438996898e+00 3.54 -5.552541709e-01 -1.124095151e+00 -1.383291184e+00 3.56 -5.262198767e-01 -1.076367205e+00 -1.329122181e+00 3.58 -4.984548121e-01 -1.030188237e+00 -1.276485748e+00 3.60 -4.719196623e-01 -9.855364536e-01 -1.225374279e+00 3.62 -4.465755255e-01 -9.423880938e-01 -1.175777045e+00 3.64 -4.223839960e-01 -9.007176896e-01 -1.127680504e+00 3.66 -3.993072367e-01 -8.604983033e-01 -1.081068597e+00 3.68 -3.773080415e-01 -8.217017490e-01 -1.035923027e+00 3.70 -3.563498886e-01 -7.842987954e-01 -9.922235152e-01 3.72 -3.363969850e-01 -7.482593528e-01 -9.499480403e-01 3.74 -3.174143039e-01 -7.135526440e-01 -9.090730652e-01 3.76 -2.993676148e-01 -6.801473606e-01 -8.695737428e-01 3.78 -2.822235080e-01 -6.480118058e-01 -8.314241083e-01 3.80 -2.659494127e-01 -6.171140235e-01 -7.945972559e-01 3.82 -2.505136106e-01 -5.874219160e-01 -7.590655024e-01 3.84 -2.358852450e-01 -5.589033496e-01 -7.248005368e-01 3.86 -2.220343257e-01 -5.315262501e-01 -6.917735574e-01 3.88 -2.089317301e-01 -5.052586883e-01 -6.599553976e-01 3.90 -1.965492019e-01 -4.800689561e-01 -6.293166400e-01 3.92 -1.848593461e-01 -4.559256346e-01 -5.998277205e-01 3.94 -1.738356228e-01 -4.327976540e-01 -5.714590225e-01 3.96 -1.634523380e-01 -4.106543465e-01 -5.441809617e-01 3.98 -1.536264798e-01 -3.894654918e-01 -5.179640628e-01 4.00 -1.442793314e-01 -3.692013579e-01 -4.927692457e-01 4.02 -1.353928560e-01 -3.498327347e-01 -4.685561387e-01 4.04 -1.269495442e-01 -3.313309638e-01 -4.452968479e-01 4.06 -1.189322384e-01 -3.136679623e-01 -4.229638233e-01 4.08 -1.113248634e-01 -2.968162436e-01 -4.015298726e-01 4.10 -1.041118774e-01 -2.807489333e-01 -3.809681983e-01 4.12 -9.727819100e-02 -2.654397819e-01 -3.612524297e-01 4.14 -9.080918110e-02 -2.508631746e-01 -3.423566499e-01 4.16 -8.469069792e-02 -2.369941374e-01 -3.242554205e-01 4.18 -7.890906729e-02 -2.238083418e-01 -3.069238002e-01 4.20 -7.345108880e-02 -2.112821064e-01 -2.903373622e-01 4.22 -6.830403083e-02 -1.993561783e-01 -2.744722069e-01 4.24 -6.345562308e-02 -1.879723940e-01 -2.593049727e-01 4.26 -5.889404708e-02 -1.771120739e-01 -2.448128438e-01 4.28 -5.460792533e-02 -1.667570723e-01 -2.309735557e-01 4.30 -5.058630933e-02 -1.568897671e-01 -2.177653988e-01 4.32 -4.681866681e-02 -1.474930541e-01 -2.051672199e-01 4.34 -4.329464200e-02 -1.385503388e-01 -1.931584223e-01 4.36 -3.997873416e-02 -1.300455288e-01 -1.817189634e-01 4.38 -3.684545350e-02 -1.219630259e-01 -1.708293526e-01 4.40 -3.388774280e-02 -1.142877174e-01 -1.604706465e-01 4.42 -3.109880195e-02 -1.070049669e-01 -1.506244439e-01 4.44 -2.847207981e-02 -1.001006053e-01 -1.412728780e-01 4.46 -2.600126625e-02 -9.356075678e-02 -1.323986103e-01 4.48 -2.368028428e-02 -8.737210683e-02 -1.239848235e-01 4.50 -2.150298869e-02 -8.152195594e-02 -1.160152123e-01 4.52 -1.946340903e-02 -7.599798666e-02 -1.084738659e-01 4.54 -1.755643235e-02 -7.078818919e-02 -1.013452837e-01 4.56 -1.577707370e-02 -6.588069365e-02 -9.461483219e-02 4.58 -1.412047220e-02 -6.126452949e-02 -8.826829945e-02 4.60 -1.258189979e-02 -5.692908030e-02 -8.229187772e-02 4.62 -1.115676749e-02 -5.286400968e-02 -7.667216862e-02 4.64 -9.840629555e-03 -4.905927663e-02 -7.139618501e-02 4.66 -8.629185969e-03 -4.550514573e-02 -6.645135007e-02 4.68 -7.518283394e-03 -4.219219296e-02 -6.182549416e-02 4.70 -6.503914994e-03 -3.911130810e-02 -5.750684984e-02 4.72 -5.582219260e-03 -3.625369415e-02 -5.348404541e-02 4.74 -4.749478050e-03 -3.361086444e-02 -4.974609728e-02 4.76 -4.002113998e-03 -3.117463807e-02 -4.628240144e-02 4.78 -3.336687414e-03 -2.893713450e-02 -4.308272555e-02 4.80 -2.749892815e-03 -2.689076422e-02 -4.013719619e-02 4.82 -2.238555152e-03 -2.502822170e-02 -3.743628959e-02 4.84 -1.799625842e-03 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