# 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 = A3B # 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 2.695873245e+06 nan nan 0.82 2.425687910e+06 nan nan 0.84 2.181098212e+06 nan nan 0.86 1.959177098e+06 nan nan 0.88 1.757410370e+06 2.603937685e+06 nan 0.90 1.573598694e+06 2.363294112e+06 2.669408713e+06 0.92 1.405813864e+06 2.143491308e+06 2.429600641e+06 0.94 1.252403801e+06 1.942384088e+06 2.210131806e+06 0.96 1.111897139e+06 1.758048719e+06 2.008920720e+06 0.98 9.829959618e+05 1.588802587e+06 1.824145749e+06 1.00 8.645445845e+05 1.433170956e+06 1.654193580e+06 1.02 7.555427775e+05 1.289821453e+06 1.497644152e+06 1.04 6.550874789e+05 1.157605573e+06 1.353227068e+06 1.06 5.623857655e+05 1.035510775e+06 1.219816429e+06 1.08 4.767203120e+05 9.226040156e+05 1.096410904e+06 1.10 3.974583903e+05 8.180530905e+05 9.821048679e+05 1.12 3.240462637e+05 7.211181477e+05 8.760985893e+05 1.14 2.563763885e+05 6.311378944e+05 7.776717512e+05 1.16 1.974737797e+05 5.475042907e+05 6.861666060e+05 1.18 1.518619884e+05 4.696894890e+05 6.010074502e+05 1.20 1.170004482e+05 3.972161539e+05 5.216720959e+05 1.22 9.029034833e+04 3.296591292e+05 4.476973881e+05 1.24 6.978352912e+04 2.668142145e+05 3.786443785e+05 1.26 5.401144226e+04 2.105944742e+05 3.141316907e+05 1.28 4.186035457e+04 1.653987834e+05 2.542291527e+05 1.30 3.248074306e+04 1.301108872e+05 2.013672065e+05 1.32 2.522822765e+04 1.025053082e+05 1.592786004e+05 1.34 1.961262090e+04 8.086984386e+04 1.261693984e+05 1.36 1.525854613e+04 6.388422211e+04 1.000781119e+05 1.38 1.187859681e+04 5.052435906e+04 7.947937327e+04 1.40 9.252146435e+03 3.999732216e+04 6.319229038e+04 1.42 7.209031968e+03 3.169159809e+04 5.029656202e+04 1.44 5.618289610e+03 2.513005755e+04 4.007022628e+04 1.46 4.379104859e+03 1.994032282e+04 3.195048327e+04 1.48 3.413360415e+03 1.583169750e+04 2.549643433e+04 1.50 2.660447223e+03 1.257624755e+04 2.036052248e+04 1.52 2.073221558e+03 9.994853766e+03 1.626896607e+04 1.54 1.615010457e+03 7.946467984e+03 1.300623104e+04 1.56 1.257370990e+03 6.319811033e+03 1.040247291e+04 1.58 9.782370221e+02 5.027010619e+03 8.322825278e+03 1.60 7.604029507e+02 3.998834807e+03 6.660388950e+03 1.62 5.904565279e+02 3.180829846e+03 5.330851174e+03 1.64 4.579062410e+02 2.529852250e+03 4.266942315e+03 1.66 3.545832943e+02 2.011710036e+03 3.415152201e+03 1.68 2.740826811e+02 1.599140597e+03 2.733001478e+03 1.70 2.114071551e+02 1.270575351e+03 2.186599953e+03 1.72 1.626515124e+02 1.008897600e+03 1.748875800e+03 1.74 1.247504074e+02 8.004831776e+02 1.398214547e+03 1.76 9.531400892e+01 6.345384985e+02 1.117319206e+03 1.78 7.247492749e+01 5.024644774e+02 8.923066718e+02 1.80 5.478007452e+01 3.973982592e+02 7.119717098e+02 1.82 4.109242582e+01 3.138592647e+02 5.674868918e+02 1.84 3.052171462e+01 2.474565063e+02 4.517858377e+02 1.86 2.237163835e+01 1.947087704e+02 3.591874615e+02 1.88 1.609827597e+01 1.528362936e+02 2.851226215e+02 1.90 1.127733177e+01 1.196200028e+02 2.259256367e+02 1.92 7.578338993e+00 9.329980948e+01 1.786498427e+02 1.94 4.744195041e+00 7.246859509e+01 1.409223189e+02 1.96 2.575461662e+00 5.600108210e+01 1.108408426e+02 1.98 9.179041838e-01 4.299696661e+01 8.687544368e+01 2.00 -3.477037562e-01 3.274181209e+01 6.780407596e+01 2.02 -1.313419486e+00 2.466602384e+01 5.264561182e+01 2.04 -2.049878494e+00 1.831544233e+01 4.061228027e+01 2.06 -2.611155420e+00 1.332807243e+01 3.107204062e+01 2.08 -3.038586947e+00 9.416911620e+00 2.351819513e+01 2.10 -3.363708585e+00 6.354056624e+00 1.754484716e+01 2.12 -3.610510691e+00 3.958911355e+00 1.282580716e+01 2.14 -3.797137299e+00 2.088420464e+00 9.102325067e+00 2.16 -3.937295559e+00 6.294667814e-01 6.168535823e+00 2.18 -4.041305948e+00 -5.072140438e-01 3.860100300e+00 2.20 -4.116864945e+00 -1.391910712e+00 2.046046032e+00 2.22 -4.169760361e+00 -2.079841588e+00 6.220811593e-01 2.24 -4.204339552e+00 -2.614278585e+00 -4.947992770e-01 2.26 -4.223865215e+00 -3.029043067e+00 -1.369841715e+00 2.28 -4.230793698e+00 -3.350498534e+00 -2.054648664e+00 2.30 -4.226986934e+00 -3.599109891e+00 -2.589984016e+00 2.32 -4.213872786e+00 -3.790725269e+00 -3.007965866e+00 2.34 -4.192565450e+00 -3.937594960e+00 -3.333830914e+00 2.36 -4.163935369e+00 -4.049128970e+00 -3.587355680e+00 2.38 -4.128680140e+00 -4.132546186e+00 -3.783953701e+00 2.40 -4.087419674e+00 -4.193410465e+00 -3.935605748e+00 2.42 -4.040698231e+00 -4.235994197e+00 -4.051618875e+00 2.44 -3.989007863e+00 -4.263575536e+00 -4.139220090e+00 2.46 -3.932804911e+00 -4.278633432e+00 -4.203999484e+00 2.48 -3.872520948e+00 -4.282967720e+00 -4.250270831e+00 2.50 -3.808569686e+00 -4.278060767e+00 -4.281358156e+00 2.52 -3.741301060e+00 -4.265080294e+00 -4.299822157e+00 2.54 -3.670983669e+00 -4.244948228e+00 -4.307638411e+00 2.56 -3.597972638e+00 -4.218392734e+00 -4.306337002e+00 2.58 -3.522557409e+00 -4.186021973e+00 -4.297111374e+00 2.60 -3.445068113e+00 -4.148351402e+00 -4.280902712e+00 2.62 -3.365796728e+00 -4.105828102e+00 -4.258461955e+00 2.64 -3.285026351e+00 -4.058850766e+00 -4.230363864e+00 2.66 -3.203058903e+00 -4.007784131e+00 -4.197110328e+00 2.68 -3.120182048e+00 -3.952969176e+00 -4.159144201e+00 2.70 -3.036668589e+00 -3.894730100e+00 -4.116856830e+00 2.72 -2.952775978e+00 -3.833378904e+00 -4.070546427e+00 2.74 -2.868745978e+00 -3.769218199e+00 -4.020390600e+00 2.76 -2.784804466e+00 -3.702542742e+00 -3.966684821e+00 2.78 -2.701161376e+00 -3.633640065e+00 -3.909718757e+00 2.80 -2.618010784e+00 -3.562790502e+00 -3.849772192e+00 2.82 -2.535531108e+00 -3.490266823e+00 -3.787117183e+00 2.84 -2.453885421e+00 -3.416333639e+00 -3.722019242e+00 2.86 -2.373221852e+00 -3.341246699e+00 -3.654737822e+00 2.88 -2.293674074e+00 -3.265234773e+00 -3.585526322e+00 2.90 -2.215361850e+00 -3.188437883e+00 -3.514631781e+00 2.92 -2.138391631e+00 -3.111063223e+00 -3.442294385e+00 2.94 -2.062841234e+00 -3.033308172e+00 -3.368724719e+00 2.96 -1.988769517e+00 -2.955352221e+00 -3.294114233e+00 2.98 -1.916247844e+00 -2.877381843e+00 -3.218677989e+00 3.00 -1.845337229e+00 -2.799572126e+00 -3.142622437e+00 3.02 -1.776088791e+00 -2.722086557e+00 -3.066144647e+00 3.04 -1.708544416e+00 -2.645077076e+00 -2.989431922e+00 3.06 -1.642737421e+00 -2.568676690e+00 -2.912661496e+00 3.08 -1.578693188e+00 -2.492944723e+00 -2.836000337e+00 3.10 -1.516429789e+00 -2.417981600e+00 -2.759605022e+00 3.12 -1.455958584e+00 -2.343894292e+00 -2.683621713e+00 3.14 -1.397284799e+00 -2.270779806e+00 -2.608186198e+00 3.16 -1.340408074e+00 -2.198725566e+00 -2.533424014e+00 3.18 -1.285322986e+00 -2.127809814e+00 -2.459450623e+00 3.20 -1.232019544e+00 -2.058102035e+00 -2.386371646e+00 3.22 -1.180483654e+00 -1.989663392e+00 -2.314283145e+00 3.24 -1.130697560e+00 -1.922547169e+00 -2.243271940e+00 3.26 -1.082613346e+00 -1.856799211e+00 -2.173415956e+00 3.28 -1.036170785e+00 -1.792458374e+00 -2.104784603e+00 3.30 -9.913451496e-01 -1.729556960e+00 -2.037439158e+00 3.32 -9.481098353e-01 -1.668121152e+00 -1.971429069e+00 3.34 -9.064364026e-01 -1.608171433e+00 -1.906746357e+00 3.36 -8.662948466e-01 -1.549722999e+00 -1.843413982e+00 3.38 -8.276517774e-01 -1.492786154e+00 -1.781461149e+00 3.40 -7.904415389e-01 -1.437366696e+00 -1.720843498e+00 3.42 -7.546209468e-01 -1.383466280e+00 -1.661558920e+00 3.44 -7.201581873e-01 -1.331082770e+00 -1.603626018e+00 3.46 -6.870208635e-01 -1.280210574e+00 -1.547058846e+00 3.48 -6.551761510e-01 -1.230840961e+00 -1.491867248e+00 3.50 -6.245909392e-01 -1.182962359e+00 -1.438057167e+00 3.52 -5.952319591e-01 -1.136560641e+00 -1.385630958e+00 3.54 -5.670658985e-01 -1.091619387e+00 -1.334587676e+00 3.56 -5.400595056e-01 -1.048120141e+00 -1.284923359e+00 3.58 -5.141796814e-01 -1.006042524e+00 -1.236631286e+00 3.60 -4.893935621e-01 -9.653301388e-01 -1.189702237e+00 3.62 -4.656685927e-01 -9.259341883e-01 -1.144124725e+00 3.64 -4.429725913e-01 -8.878328318e-01 -1.099885224e+00 3.66 -4.212738054e-01 -8.510031522e-01 -1.056968377e+00 3.68 -4.005409614e-01 -8.154213137e-01 -1.015357195e+00 3.70 -3.807433072e-01 -7.810627076e-01 -9.750332443e-01 3.72 -3.618506484e-01 -7.479020875e-01 -9.359768192e-01 3.74 -3.438333791e-01 -7.159136929e-01 -8.981671031e-01 3.76 -3.266625075e-01 -6.850713635e-01 -8.615823196e-01 3.78 -3.103096769e-01 -6.553486437e-01 -8.261998722e-01 3.80 -2.947471823e-01 -6.267188779e-01 -7.919964738e-01 3.82 -2.799479838e-01 -5.991552977e-01 -7.589482666e-01 3.84 -2.658584715e-01 -5.726311012e-01 -7.270309320e-01 3.86 -2.523765772e-01 -5.471195241e-01 -6.962197925e-01 3.88 -2.394769643e-01 -5.225939053e-01 -6.664899048e-01 3.90 -2.271398599e-01 -4.990277439e-01 -6.378161452e-01 3.92 -2.153458899e-01 -4.763947527e-01 -6.101732872e-01 3.94 -2.040761600e-01 -4.546689037e-01 -5.835360730e-01 3.96 -1.933127397e-01 -4.338244696e-01 -5.578792773e-01 3.98 -1.830381269e-01 -4.138360608e-01 -5.331777660e-01 4.00 -1.732352508e-01 -3.946786565e-01 -5.094065487e-01 4.02 -1.638874923e-01 -3.763276333e-01 -4.865408259e-01 4.04 -1.549786982e-01 -3.587587886e-01 -4.645560311e-01 4.06 -1.464931882e-01 -3.419480134e-01 -4.434278688e-01 4.08 -1.384157587e-01 -3.258289108e-01 -4.231323475e-01 4.10 -1.307316813e-01 -3.103508770e-01 -4.036458092e-01 4.12 -1.234266990e-01 -2.954944708e-01 -3.849449554e-01 4.14 -1.164870202e-01 -2.812406570e-01 -3.670050890e-01 4.16 -1.098993103e-01 -2.675708135e-01 -3.497857342e-01 4.18 -1.036506820e-01 -2.544667365e-01 -3.332609808e-01 4.20 -9.772388617e-02 -2.419106452e-01 -3.174101983e-01 4.22 -9.207108225e-02 -2.298851822e-01 -3.022131606e-01 4.24 -8.667515952e-02 -2.183734158e-01 -2.876500557e-01 4.26 -8.152704504e-02 -2.073588393e-01 -2.737014934e-01 4.28 -7.661795312e-02 -1.968253706e-01 -2.603485120e-01 4.30 -7.193937890e-02 -1.867573493e-01 -2.475725804e-01 4.32 -6.748309178e-02 -1.771394394e-01 -2.353556022e-01 4.34 -6.324112881e-02 -1.679566933e-01 -2.236799175e-01 4.36 -5.920578808e-02 -1.591948261e-01 -2.125283027e-01 4.38 -5.536962203e-02 -1.508399207e-01 -2.018838740e-01 4.40 -5.172543081e-02 -1.428784230e-01 -1.917300940e-01 4.42 -4.826625567e-02 -1.352971457e-01 -1.820512263e-01 4.44 -4.498537235e-02 -1.280832686e-01 -1.728319089e-01 4.46 -4.187628458e-02 -1.212243377e-01 -1.640571415e-01 4.48 -3.893271758e-02 -1.147082633e-01 -1.557122979e-01 4.50 -3.614861220e-02 -1.085233163e-01 -1.477831338e-01 4.52 -3.351811826e-02 -1.026581223e-01 -1.402557919e-01 4.54 -3.103558678e-02 -9.710165661e-02 -1.331168035e-01 4.56 -2.869556545e-02 -9.184323851e-02 -1.263530877e-01 4.58 -2.649279271e-02 -8.687252421e-02 -1.199519495e-01 4.60 -2.442219180e-02 -8.217949967e-02 -1.139010746e-01 4.62 -2.247886495e-02 -7.775436690e-02 -1.081885250e-01 4.64 -2.065808776e-02 -7.358766810e-02 -1.028027317e-01 4.66 -1.895529906e-02 -6.967045634e-02 -9.773248793e-02 4.68 -1.736581510e-02 -6.599403540e-02 -9.296694074e-02 4.70 -1.588049282e-02 -6.253051168e-02 -8.846657005e-02 4.72 -1.448200658e-02 -5.921830030e-02 -8.414151363e-02 4.74 -1.316646841e-02 -5.604920576e-02 -7.998144654e-02 4.76 -1.193091614e-02 -5.301854226e-02 -7.598121935e-02 4.78 -1.077246991e-02 -5.012176148e-02 -7.213582853e-02 4.80 -9.688333802e-03 -4.735445080e-02 -6.844041338e-02 4.82 -8.675796764e-03 -4.471233106e-02 -6.489025283e-02 4.84 -7.732232856e-03 -4.219125419e-02 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