# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Liu-Z-Li-B-Guo-Y-et-al--Mo-Re # implementation = 2025--Liu-Z--Mo-Re--LAMMPS--ipr1 # composition = Mo3Re # 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 2025-12-17 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 3.375587033e+03 nan nan 0.84 2.972653054e+03 nan nan 0.86 2.624708645e+03 nan nan 0.88 2.323094207e+03 nan nan 0.90 2.061173670e+03 3.242015637e+03 nan 0.92 1.832552530e+03 2.886458083e+03 3.351759300e+03 0.94 1.631896813e+03 2.574959620e+03 2.990400633e+03 0.96 1.455533995e+03 2.301227733e+03 2.671484845e+03 0.98 1.300229308e+03 2.059476788e+03 2.389526977e+03 1.00 1.163354393e+03 1.845478163e+03 2.139681172e+03 1.02 1.042949586e+03 1.656810479e+03 1.920145058e+03 1.04 9.365312822e+02 1.489777057e+03 1.726498078e+03 1.06 8.424559331e+02 1.343444391e+03 1.555676994e+03 1.08 7.600309476e+02 1.213581205e+03 1.404593543e+03 1.10 6.872232783e+02 1.098022487e+03 1.270628170e+03 1.12 6.224430899e+02 9.952886194e+02 1.151309976e+03 1.14 5.654003006e+02 9.038034558e+02 1.044794097e+03 1.16 5.148042515e+02 8.219927504e+02 9.500026378e+02 1.18 4.698839987e+02 7.487667163e+02 8.664563016e+02 1.20 4.298486176e+02 6.830632983e+02 7.909853905e+02 1.22 3.940112686e+02 6.240294288e+02 7.232289965e+02 1.24 3.616751158e+02 5.714522732e+02 6.624215258e+02 1.26 3.323836204e+02 5.239350989e+02 6.077964977e+02 1.28 3.056989905e+02 4.808214222e+02 5.585694173e+02 1.30 2.812827094e+02 4.419093416e+02 5.141147715e+02 1.32 2.588086658e+02 4.067913572e+02 4.737530391e+02 1.34 2.380952462e+02 3.749860797e+02 4.370723882e+02 1.36 2.189447901e+02 3.460887893e+02 4.036329441e+02 1.38 2.012303771e+02 3.197679584e+02 3.730329768e+02 1.40 1.847183157e+02 2.957170196e+02 3.449957123e+02 1.42 1.693455811e+02 2.736585467e+02 3.192268715e+02 1.44 1.550089916e+02 2.533392702e+02 2.957555026e+02 1.46 1.416158340e+02 2.345550569e+02 2.739732013e+02 1.48 1.290871143e+02 2.170980749e+02 2.538212553e+02 1.50 1.173937801e+02 2.007741934e+02 2.352247462e+02 1.52 1.063943276e+02 1.855401935e+02 2.180779502e+02 1.54 9.609243245e+01 1.713255343e+02 2.021884305e+02 1.56 8.644798231e+01 1.580522333e+02 1.874783707e+02 1.58 7.747144224e+01 1.456507501e+02 1.738294845e+02 1.60 6.914788294e+01 1.340604331e+02 1.611376083e+02 1.62 6.144854727e+01 1.232259847e+02 1.493041943e+02 1.64 5.455172559e+01 1.130953568e+02 1.382320783e+02 1.66 4.861321287e+01 1.036220787e+02 1.278345145e+02 1.68 4.298070344e+01 9.479519226e+01 1.180706850e+02 1.70 3.773235427e+01 8.650328188e+01 1.088055244e+02 1.72 3.295711770e+01 7.874506955e+01 1.000520722e+02 1.74 2.867215960e+01 7.161732349e+01 9.178566079e+01 1.76 2.483739419e+01 6.526240805e+01 8.400967004e+01 1.78 2.139789734e+01 5.924079297e+01 7.671759913e+01 1.80 1.841464905e+01 5.354875670e+01 6.987978027e+01 1.82 1.602258878e+01 4.821605814e+01 6.346986372e+01 1.84 1.386038218e+01 4.324404834e+01 5.746456938e+01 1.86 1.194098177e+01 3.861757883e+01 5.184312173e+01 1.88 1.014146802e+01 3.431234536e+01 4.658190523e+01 1.90 8.496768864e+00 3.030616128e+01 4.170373699e+01 1.92 6.984310294e+00 2.658034174e+01 3.707129139e+01 1.94 5.583519712e+00 2.314863151e+01 3.273200587e+01 1.96 4.276347184e+00 1.993256921e+01 2.866497460e+01 1.98 3.053641945e+00 1.695609616e+01 2.485161551e+01 2.00 1.915134546e+00 1.422435602e+01 2.127800846e+01 2.02 1.053016220e+00 1.225830107e+01 1.874610499e+01 2.04 2.314687033e-01 1.047419273e+01 1.642315396e+01 2.06 -5.641862909e-01 8.738550756e+00 1.413820646e+01 2.08 -1.316773648e+00 7.078674765e+00 1.194292907e+01 2.10 -2.006461748e+00 5.533014604e+00 9.899395797e+00 2.12 -2.624454270e+00 4.120891554e+00 8.035652519e+00 2.14 -3.171365781e+00 2.846032979e+00 6.357964302e+00 2.16 -3.654968320e+00 1.696911361e+00 4.850826413e+00 2.18 -4.082893257e+00 6.623002959e-01 3.499102218e+00 2.20 -4.440041699e+00 -2.677300533e-01 2.288799587e+00 2.22 -4.783253725e+00 -1.100780111e+00 1.208586447e+00 2.24 -5.087836789e+00 -1.842790690e+00 2.776775808e-01 2.26 -5.359060808e+00 -2.501442878e+00 -5.776716761e-01 2.28 -5.600668201e+00 -3.083903305e+00 -1.330521386e+00 2.30 -5.815838682e+00 -3.596797960e+00 -1.991616042e+00 2.32 -6.007548837e+00 -4.046269870e+00 -2.571581257e+00 2.34 -6.178658980e+00 -4.438326115e+00 -3.080345892e+00 2.36 -6.331976513e+00 -4.779743532e+00 -3.528313041e+00 2.38 -6.469851295e+00 -5.078815399e+00 -3.927143093e+00 2.40 -6.592873491e+00 -5.343277746e+00 -4.287359701e+00 2.42 -6.700282346e+00 -5.577793635e+00 -4.614617727e+00 2.44 -6.791256628e+00 -5.785907992e+00 -4.912025560e+00 2.46 -6.865897882e+00 -5.971058003e+00 -5.182394667e+00 2.48 -6.924573096e+00 -6.136237067e+00 -5.427967538e+00 2.50 -6.967787242e+00 -6.277742820e+00 -5.650799727e+00 2.52 -6.996051945e+00 -6.409854752e+00 -5.852807275e+00 2.54 -7.009930579e+00 -6.530896136e+00 -6.035015074e+00 2.56 -7.009980094e+00 -6.637895003e+00 -6.197868832e+00 2.58 -6.996621254e+00 -6.731198528e+00 -6.341949311e+00 2.60 -6.969732712e+00 -6.811114398e+00 -6.468093908e+00 2.62 -6.929036024e+00 -6.851512174e+00 -6.577127459e+00 2.64 -6.874767846e+00 -6.911254575e+00 -6.669834030e+00 2.66 -6.808361292e+00 -6.956752834e+00 -6.746957634e+00 2.68 -6.731345851e+00 -6.988386007e+00 -6.809202899e+00 2.70 -6.645199739e+00 -7.006515155e+00 -6.857235705e+00 2.72 -6.551411246e+00 -7.011537182e+00 -6.891766927e+00 2.74 -6.451532769e+00 -7.004240128e+00 -6.914085596e+00 2.76 -6.347249879e+00 -6.985565313e+00 -6.925702297e+00 2.78 -6.226550707e+00 -6.956457970e+00 -6.928119557e+00 2.80 -6.120718017e+00 -6.918134364e+00 -6.922871699e+00 2.82 -6.012921030e+00 -6.872196792e+00 -6.911448529e+00 2.84 -5.903565355e+00 -6.820216210e+00 -6.895288523e+00 2.86 -5.793044138e+00 -6.763717945e+00 -6.875780079e+00 2.88 -5.681738400e+00 -6.704147699e+00 -6.854203434e+00 2.90 -5.570007528e+00 -6.642636931e+00 -6.806140491e+00 2.92 -5.458056379e+00 -6.579723714e+00 -6.787477679e+00 2.94 -5.345975889e+00 -6.515589298e+00 -6.765957833e+00 2.96 -5.233852165e+00 -6.450307419e+00 -6.741169671e+00 2.98 -5.121769301e+00 -6.383630296e+00 -6.712721698e+00 3.00 -5.009809455e+00 -6.315236819e+00 -6.680223819e+00 3.02 -4.898052926e+00 -6.244782930e+00 -6.643259351e+00 3.04 -4.786578229e+00 -6.171923664e+00 -6.601416565e+00 3.06 -4.675462163e+00 -6.096367915e+00 -6.554370846e+00 3.08 -4.564779881e+00 -6.017935344e+00 -6.501942702e+00 3.10 -4.454604958e+00 -5.936552305e+00 -6.443970965e+00 3.12 -4.345009455e+00 -5.852178388e+00 -6.380298011e+00 3.14 -4.236063982e+00 -5.764774145e+00 -6.310769586e+00 3.16 -4.127837758e+00 -5.674263666e+00 -6.235234645e+00 3.18 -4.020398672e+00 -5.580497574e+00 -6.153545184e+00 3.20 -3.913813341e+00 -5.483321374e+00 -6.065556075e+00 3.22 -3.808167298e+00 -5.382638304e+00 -5.971205287e+00 3.24 -3.703713751e+00 -5.278805839e+00 -5.871091068e+00 3.26 -3.600736070e+00 -5.172398745e+00 -5.766100706e+00 3.28 -3.499365454e+00 -5.063979689e+00 -5.657097425e+00 3.30 -3.399703065e+00 -4.954097921e+00 -5.544922299e+00 3.32 -3.301848143e+00 -4.843289678e+00 -5.430394814e+00 3.34 -3.205898077e+00 -4.732078585e+00 -5.314313399e+00 3.36 -3.111948482e+00 -4.620976035e+00 -5.197455931e+00 3.38 -3.020093267e+00 -4.510481556e+00 -5.080580206e+00 3.40 -2.930423865e+00 -4.401080926e+00 -4.964421025e+00 3.42 -2.842973398e+00 -4.293097459e+00 -4.849467027e+00 3.44 -2.757683356e+00 -4.186603304e+00 -4.735827537e+00 3.46 -2.674488884e+00 -4.081647055e+00 -4.623573848e+00 3.48 -2.593327237e+00 -3.978276449e+00 -4.512773148e+00 3.50 -2.514137727e+00 -3.876538397e+00 -4.403488419e+00 3.52 -2.436861675e+00 -3.776479017e+00 -4.295778314e+00 3.54 -2.361442351e+00 -3.678143654e+00 -4.189697124e+00 3.56 -2.287824923e+00 -3.581576910e+00 -4.085312338e+00 3.58 -2.215956389e+00 -3.486822669e+00 -3.982725108e+00 3.60 -2.145785513e+00 -3.393924117e+00 -3.882038953e+00 3.62 -2.077262748e+00 -3.302923763e+00 -3.783355251e+00 3.64 -2.010340151e+00 -3.213846475e+00 -3.686747825e+00 3.66 -1.944971289e+00 -3.126646019e+00 -3.592182766e+00 3.68 -1.881111130e+00 -3.041259872e+00 -3.499599360e+00 3.70 -1.818715913e+00 -2.957628609e+00 -3.408938367e+00 3.72 -1.757743006e+00 -2.875694474e+00 -3.320141990e+00 3.74 -1.698150731e+00 -2.795401193e+00 -3.233153841e+00 3.76 -1.639898173e+00 -2.716693922e+00 -3.147918912e+00 3.78 -1.582944966e+00 -2.639519191e+00 -3.064383542e+00 3.80 -1.527252682e+00 -2.563824852e+00 -2.982495391e+00 3.82 -1.472785459e+00 -2.489560014e+00 -2.902203412e+00 3.84 -1.419507173e+00 -2.416675525e+00 -2.823457826e+00 3.86 -1.367380762e+00 -2.345139580e+00 -2.746210097e+00 3.88 -1.316367757e+00 -2.274939715e+00 -2.670412907e+00 3.90 -1.266427707e+00 -2.206064745e+00 -2.596020136e+00 3.92 -1.217517514e+00 -2.138503643e+00 -2.522986840e+00 3.94 -1.169590831e+00 -2.072245463e+00 -2.451269231e+00 3.96 -1.122597075e+00 -2.007279238e+00 -2.380824659e+00 3.98 -1.076497763e+00 -1.943593881e+00 -2.311611595e+00 4.00 -1.031290414e+00 -1.881178052e+00 -2.243589613e+00 4.02 -9.869704234e-01 -1.820020023e+00 -2.176719379e+00 4.04 -9.435230519e-01 -1.760107504e+00 -2.110962633e+00 4.06 -9.009221490e-01 -1.701427457e+00 -2.046282179e+00 4.08 -8.591284443e-01 -1.643965872e+00 -1.982641877e+00 4.10 -8.180983319e-01 -1.587707510e+00 -1.920006628e+00 4.12 -7.778516973e-01 -1.532635604e+00 -1.858342370e+00 4.14 -7.384356705e-01 -1.478731512e+00 -1.797616070e+00 4.16 -6.996299539e-01 -1.425974328e+00 -1.737795719e+00 4.18 -6.624922187e-01 -1.374340383e+00 -1.678850333e+00 4.20 -6.276368711e-01 -1.323802732e+00 -1.620749945e+00 4.22 -5.924474394e-01 -1.274330505e+00 -1.563465610e+00 4.24 -5.554893424e-01 -1.225888572e+00 -1.506970048e+00 4.26 -5.171467477e-01 -1.178437672e+00 -1.451239181e+00 4.28 -4.797891530e-01 -1.131932243e+00 -1.396250383e+00 4.30 -4.449919532e-01 -1.086318770e+00 -1.341982019e+00 4.32 -4.133156467e-01 -1.041530957e+00 -1.288413462e+00 4.34 -3.847194776e-01 -9.906628630e-01 -1.235525074e+00 4.36 -3.589946729e-01 -9.483128478e-01 -1.183298309e+00 4.38 -3.356344401e-01 -9.065090081e-01 -1.131715622e+00 4.40 -3.140690007e-01 -8.652421996e-01 -1.080760628e+00 4.42 -2.946246293e-01 -8.245043279e-01 -1.030418052e+00 4.44 -2.774057461e-01 -7.842910056e-01 -9.806780285e-01 4.46 -2.625503078e-01 -7.446184482e-01 -9.315619234e-01 4.48 -2.352323738e-01 -7.055117309e-01 -8.831048852e-01 4.50 -2.235288021e-01 -6.669993437e-01 -8.353422658e-01 4.52 -2.104454308e-01 -6.291028496e-01 -7.883103335e-01 4.54 -1.955889129e-01 -5.918534271e-01 -7.420464520e-01 4.56 -1.789075549e-01 -5.552748942e-01 -6.965887619e-01 4.58 -1.605133758e-01 -5.193345354e-01 -6.519728969e-01 4.60 -1.413947556e-01 -4.839532029e-01 -6.082420533e-01 4.62 -1.225643043e-01 -4.495774117e-01 -5.654301213e-01 4.64 -1.046910630e-01 -4.166794765e-01 -5.234060027e-01 4.66 -8.818631631e-02 -3.861404670e-01 -4.824936007e-01 4.68 -7.327228654e-02 -3.574898001e-01 -4.429105937e-01 4.70 -6.003631607e-02 -3.266924153e-01 -4.062015128e-01 4.72 -4.847286765e-02 -2.903190395e-01 -3.726494379e-01 4.74 -3.851541582e-02 -2.488066798e-01 -3.363908368e-01 4.76 -3.006005923e-02 -2.053913281e-01 -2.926668290e-01 4.78 -2.298245535e-02 -1.645530103e-01 -2.429222227e-01 4.80 -1.714946686e-02 -1.286932253e-01 -1.933156265e-01 4.82 -1.242671097e-02 -9.863703192e-02 -1.491817682e-01 4.84 -8.683020946e-03 -7.431746168e-02 -1.125074927e-01 4.86 -5.792661933e-03 -5.521812423e-02 -8.343908030e-02 4.88 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