# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--fictional-spread-alloy # implementation = 2023--Daw-M-S--fictional-spread-alloy--LAMMPS--ipr1 # composition = AB3 # 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 nan nan nan 0.80 4.142053743e+06 nan nan 0.82 3.766499293e+06 nan nan 0.84 3.426289746e+06 nan nan 0.86 3.117418530e+06 nan nan 0.88 2.836428242e+06 4.014735352e+06 nan 0.90 2.580270605e+06 3.680173863e+06 4.105672463e+06 0.92 2.346292209e+06 3.374412344e+06 3.772310518e+06 0.94 2.132170584e+06 3.094492669e+06 3.467058402e+06 0.96 1.935873700e+06 2.837764959e+06 3.187072015e+06 0.98 1.755619455e+06 2.601915157e+06 2.929820420e+06 1.00 1.589830947e+06 2.384898037e+06 2.693056750e+06 1.02 1.437134012e+06 2.184873594e+06 2.474818714e+06 1.04 1.296282559e+06 2.000227820e+06 2.273338514e+06 1.06 1.166173288e+06 1.829548564e+06 2.087069797e+06 1.08 1.045820426e+06 1.671578296e+06 1.914618973e+06 1.10 9.343448508e+05 1.525182388e+06 1.754770313e+06 1.12 8.309656636e+05 1.389348387e+06 1.606426654e+06 1.14 7.349781476e+05 1.263135184e+06 1.468582947e+06 1.16 6.457564812e+05 1.145725968e+06 1.340326220e+06 1.18 5.627395048e+05 1.036393165e+06 1.220861018e+06 1.20 4.854131757e+05 9.344609960e+05 1.109451037e+06 1.22 4.133119113e+05 8.393338114e+05 1.005459215e+06 1.24 3.460111709e+05 7.504775003e+05 9.082929503e+05 1.26 2.831451244e+05 6.673845538e+05 8.174206651e+05 1.28 2.255844298e+05 5.896172260e+05 7.323634357e+05 1.30 1.781124280e+05 5.167804987e+05 6.526764059e+05 1.32 1.407147261e+05 4.485135071e+05 5.779548129e+05 1.34 1.113269637e+05 3.844679581e+05 5.078302866e+05 1.36 8.819114589e+04 3.243310944e+05 4.419626656e+05 1.38 6.994902149e+04 2.678115249e+05 3.800368038e+05 1.40 5.554493332e+04 2.166728623e+05 3.217746946e+05 1.42 4.415350034e+04 1.743841659e+05 2.669240272e+05 1.44 3.512963632e+04 1.404770863e+05 2.171511708e+05 1.46 2.797272059e+04 1.132910632e+05 1.757972285e+05 1.48 2.229054226e+04 9.146452439e+04 1.424529447e+05 1.50 1.777426173e+04 7.391841196e+04 1.155646039e+05 1.52 1.418028638e+04 5.979650249e+04 9.385190393e+04 1.54 1.131796498e+04 4.841693788e+04 7.629166467e+04 1.56 9.036791294e+03 3.923500457e+04 6.207322014e+04 1.58 7.217639730e+03 3.181743259e+04 5.054782804e+04 1.60 5.766094238e+03 2.581941209e+04 4.119534776e+04 1.62 4.606910759e+03 2.096463914e+04 3.359882500e+04 1.64 3.680654598e+03 1.703167184e+04 2.742084832e+04 1.66 2.940307289e+03 1.384323275e+04 2.239041527e+04 1.68 2.348437561e+03 1.125648734e+04 1.829144855e+04 1.70 1.875206430e+03 9.156377902e+03 1.494909626e+04 1.72 1.496798760e+03 7.449870414e+03 1.222158084e+04 1.74 1.194208841e+03 6.061920632e+03 9.994607261e+03 1.76 9.521973173e+02 4.932620471e+03 8.175453588e+03 1.78 7.586391127e+02 4.013556245e+03 6.688587660e+03 1.80 6.038953212e+02 3.265435429e+03 5.472484793e+03 1.82 4.802400996e+02 2.656310893e+03 4.477544236e+03 1.84 3.814797891e+02 2.160281825e+03 3.663368629e+03 1.86 3.026487406e+02 1.756339073e+03 2.996965167e+03 1.88 2.397658578e+02 1.427391564e+03 2.451326896e+03 1.90 1.896392218e+02 1.159529452e+03 2.004542491e+03 1.92 1.496997377e+02 9.414472200e+02 1.638706588e+03 1.94 1.178982302e+02 7.639332246e+02 1.339159131e+03 1.96 9.259757725e+01 6.194651077e+02 1.093887414e+03 1.98 7.248609154e+01 5.018801909e+02 8.930049248e+02 2.00 5.651595237e+01 4.062155864e+02 7.285187023e+02 2.02 4.384772532e+01 3.284252332e+02 5.938814525e+02 2.04 3.380913925e+01 2.652046839e+02 4.837200922e+02 2.06 2.586194141e+01 2.138543602e+02 3.936247847e+02 2.08 1.957539558e+01 1.721688735e+02 3.199744926e+02 2.10 1.460616519e+01 1.383439902e+02 2.597952580e+02 2.12 1.068139561e+01 1.109194199e+02 2.106474953e+02 2.14 7.583523530e+00 8.870313297e+01 1.705332526e+02 2.16 5.138931150e+00 7.072185866e+01 1.378145924e+02 2.18 3.210095193e+00 5.618134385e+01 1.111471695e+02 2.20 1.687580928e+00 4.443380182e+01 8.942795424e+01 2.22 4.853765069e-01 3.495124836e+01 7.174942763e+01 2.24 -4.645344639e-01 2.730365998e+01 5.736026979e+01 2.26 -1.215919440e+00 2.114108256e+01 4.565870734e+01 2.28 -1.811176838e+00 1.617804095e+01 3.615232628e+01 2.30 -2.283652900e+00 1.218259799e+01 2.843702887e+01 2.32 -2.659503057e+00 8.968431499e+00 2.218147405e+01 2.34 -2.959185088e+00 6.383738724e+00 1.711422894e+01 2.36 -3.198657029e+00 4.305578809e+00 1.301294731e+01 2.38 -3.390324311e+00 2.635378039e+00 9.695865344e+00 2.40 -3.543803670e+00 1.293380912e+00 7.014878022e+00 2.42 -3.666539608e+00 2.150972211e-01 4.849119276e+00 2.44 -3.764284171e+00 -6.515233476e-01 3.100389600e+00 2.46 -3.841476711e+00 -1.348412965e+00 1.688785244e+00 2.48 -3.901543555e+00 -1.909267347e+00 5.493824649e-01 2.50 -3.947128817e+00 -2.361080639e+00 -3.704797998e-01 2.52 -3.980243979e+00 -2.725463678e+00 -1.113437815e+00 2.54 -4.002483826e+00 -3.019675945e+00 -1.713944566e+00 2.56 -4.015110104e+00 -3.257452792e+00 -2.199783723e+00 2.58 -4.019098159e+00 -3.449711917e+00 -2.593313052e+00 2.60 -4.015267343e+00 -3.605114330e+00 -2.912484458e+00 2.62 -4.004286619e+00 -3.730513755e+00 -3.171679228e+00 2.64 -3.986682095e+00 -3.831322230e+00 -3.382360430e+00 2.66 -3.962953439e+00 -3.911805978e+00 -3.553631482e+00 2.68 -3.933563039e+00 -3.975324234e+00 -3.692750103e+00 2.70 -3.898935612e+00 -4.024521478e+00 -3.805493864e+00 2.72 -3.859463447e+00 -4.061481663e+00 -3.896441905e+00 2.74 -3.815510235e+00 -4.087851520e+00 -3.969204648e+00 2.76 -3.767437598e+00 -4.104938735e+00 -4.026664778e+00 2.78 -3.715595981e+00 -4.113789772e+00 -4.071109229e+00 2.80 -3.660325742e+00 -4.115251240e+00 -4.104353273e+00 2.82 -3.601958027e+00 -4.110018015e+00 -4.127841615e+00 2.84 -3.540815002e+00 -4.098670693e+00 -4.142729488e+00 2.86 -3.477209664e+00 -4.081704546e+00 -4.149947414e+00 2.88 -3.411445389e+00 -4.059548395e+00 -4.150252680e+00 2.90 -3.343815352e+00 -4.032570009e+00 -4.144270004e+00 2.92 -3.274601886e+00 -4.001118113e+00 -4.132523481e+00 2.94 -3.204047597e+00 -3.965495821e+00 -4.115429677e+00 2.96 -3.132368575e+00 -3.925975608e+00 -4.093332025e+00 2.98 -3.059809310e+00 -3.882849835e+00 -4.066577362e+00 3.00 -2.986602128e+00 -3.836400629e+00 -4.035481845e+00 3.02 -2.912966559e+00 -3.786901634e+00 -4.000338872e+00 3.04 -2.839109176e+00 -3.734619243e+00 -3.961425206e+00 3.06 -2.765223542e+00 -3.679797781e+00 -3.919005368e+00 3.08 -2.691490248e+00 -3.622545256e+00 -3.873334681e+00 3.10 -2.618077039e+00 -3.563067242e+00 -3.824661291e+00 3.12 -2.545139013e+00 -3.501597081e+00 -3.773227405e+00 3.14 -2.472749102e+00 -3.438361200e+00 -3.719269949e+00 3.16 -2.400898220e+00 -3.373578799e+00 -3.663020818e+00 3.18 -2.329702103e+00 -3.307461518e+00 -3.604706823e+00 3.20 -2.259269905e+00 -3.240213104e+00 -3.544549446e+00 3.22 -2.189700688e+00 -3.172029100e+00 -3.482764481e+00 3.24 -2.121083840e+00 -3.103096579e+00 -3.419561603e+00 3.26 -2.053479367e+00 -3.033593917e+00 -3.355143921e+00 3.28 -1.986930490e+00 -2.963690634e+00 -3.289707543e+00 3.30 -1.921500053e+00 -2.893547280e+00 -3.223441172e+00 3.32 -1.857243365e+00 -2.823315379e+00 -3.156524894e+00 3.34 -1.794208469e+00 -2.753137437e+00 -3.089120139e+00 3.36 -1.732436577e+00 -2.683146990e+00 -3.021387560e+00 3.38 -1.671962502e+00 -2.613468704e+00 -2.953473096e+00 3.40 -1.612815088e+00 -2.544218517e+00 -2.885362878e+00 3.42 -1.555017613e+00 -2.475503822e+00 -2.817136023e+00 3.44 -1.498588188e+00 -2.407423676e+00 -2.748919854e+00 3.46 -1.443540146e+00 -2.340069046e+00 -2.680833937e+00 3.48 -1.389882403e+00 -2.273523068e+00 -2.612990181e+00 3.50 -1.337619815e+00 -2.207861339e+00 -2.545492970e+00 3.52 -1.286753512e+00 -2.143152209e+00 -2.478439324e+00 3.54 -1.237281220e+00 -2.079457097e+00 -2.411919080e+00 3.56 -1.189197561e+00 -2.016830806e+00 -2.346015097e+00 3.58 -1.142494345e+00 -1.955321590e+00 -2.280803480e+00 3.60 -1.097160835e+00 -1.894892766e+00 -2.216353816e+00 3.62 -1.053184007e+00 -1.835519799e+00 -2.152729419e+00 3.64 -1.010548786e+00 -1.777236516e+00 -2.089987591e+00 3.66 -9.692382709e-01 -1.720072001e+00 -2.028179883e+00 3.68 -9.292339452e-01 -1.664050877e+00 -1.967352360e+00 3.70 -8.905158708e-01 -1.609193573e+00 -1.907545871e+00 3.72 -8.530628708e-01 -1.555516603e+00 -1.848796316e+00 3.74 -8.168526976e-01 -1.503032816e+00 -1.791134912e+00 3.76 -7.818621899e-01 -1.451751657e+00 -1.734588460e+00 3.78 -7.480674166e-01 -1.401679402e+00 -1.679179597e+00 3.80 -7.154438106e-01 -1.352819396e+00 -1.624927054e+00 3.82 -6.839662911e-01 -1.305172274e+00 -1.571845904e+00 3.84 -6.536093764e-01 -1.258736177e+00 -1.519947795e+00 3.86 -6.243472869e-01 -1.213506957e+00 -1.469241190e+00 3.88 -5.961540393e-01 -1.169478365e+00 -1.419731587e+00 3.90 -5.690035325e-01 -1.126642244e+00 -1.371421734e+00 3.92 -5.428696252e-01 -1.084988697e+00 -1.324311837e+00 3.94 -5.177262070e-01 -1.044506252e+00 -1.278399758e+00 3.96 -4.935472618e-01 -1.005182024e+00 -1.233681204e+00 3.98 -4.703069249e-01 -9.670018533e-01 -1.190149905e+00 4.00 -4.479795348e-01 -9.299504484e-01 -1.147797786e+00 4.02 -4.265396786e-01 -8.940115132e-01 -1.106615130e+00 4.04 -4.059622330e-01 -8.591678676e-01 -1.066590732e+00 4.06 -3.862224000e-01 -8.254014550e-01 -1.027712040e+00 4.08 -3.672957383e-01 -7.926805276e-01 -9.899652936e-01 4.10 -3.491581910e-01 -7.609772787e-01 -9.533356549e-01 4.12 -3.317861091e-01 -7.302727312e-01 -9.178073249e-01 4.14 -3.151562721e-01 -7.005475107e-01 -8.833589305e-01 4.16 -2.992459044e-01 -6.717819220e-01 -8.499250946e-01 4.18 -2.840326902e-01 -6.439560196e-01 -8.174768879e-01 4.20 -2.694901593e-01 -6.170496722e-01 -7.859977479e-01 4.22 -2.555623266e-01 -5.910426231e-01 -7.554706356e-01 4.24 -2.422227720e-01 -5.659145441e-01 -7.258781097e-01 4.26 -2.294529567e-01 -5.416450864e-01 -6.972023962e-01 4.28 -2.172347778e-01 -5.182139260e-01 -6.694254520e-01 4.30 -2.055505701e-01 -4.956008054e-01 -6.425290250e-01 4.32 -1.943831072e-01 -4.737855716e-01 -6.164947083e-01 4.34 -1.837156008e-01 -4.527482101e-01 -5.913039911e-01 4.36 -1.735316994e-01 -4.324688758e-01 -5.669383051e-01 4.38 -1.638154856e-01 -4.129279209e-01 -5.433790672e-01 4.40 -1.545514728e-01 -3.941059194e-01 -5.206077185e-01 4.42 -1.457246008e-01 -3.759836894e-01 -4.986057599e-01 4.44 -1.373202316e-01 -3.585423122e-01 -4.773547848e-01 4.46 -1.293241431e-01 -3.417631499e-01 -4.568365083e-01 4.48 -1.217225238e-01 -3.256278598e-01 -4.370327939e-01 4.50 -1.145019661e-01 -3.101184078e-01 -4.179256776e-01 4.52 -1.076494592e-01 -2.952170791e-01 -3.994973893e-01 4.54 -1.011523827e-01 -2.809064875e-01 -3.817303722e-01 4.56 -9.499849830e-02 -2.671695834e-01 -3.646072999e-01 4.58 -8.917594265e-02 -2.539896594e-01 -3.481110914e-01 4.60 -8.367321929e-02 -2.413503560e-01 -3.322249244e-01 4.62 -7.847919070e-02 -2.292356644e-01 -3.169322467e-01 4.64 -7.358307010e-02 -2.176299297e-01 -3.022167867e-01 4.66 -6.897441327e-02 -2.065178521e-01 -2.880625609e-01 4.68 -6.464311027e-02 -1.958844871e-01 -2.744538820e-01 4.70 -6.057937717e-02 -1.857088412e-01 -2.613659118e-01 4.72 -5.677374777e-02 -1.759590669e-01 -2.487575423e-01 4.74 -5.321706529e-02 -1.666211384e-01 -2.366137245e-01 4.76 -4.990047444e-02 -1.576824582e-01 -2.249213189e-01 4.78 -4.680898141e-02 -1.491307458e-01 -2.136674616e-01 4.80 -4.387946666e-02 -1.409540345e-01 -2.028395660e-01 4.82 -4.109378422e-02 -1.331406682e-01 -1.924253234e-01 4.84 -3.844705547e-02 -1.256792978e-01 -1.824127026e-01 4.86 -3.593455683e-02 -1.185588771e-01 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