# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = BiCu3 # 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 2026-06-16 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 5.753377733e+02 nan nan 0.80 5.374392480e+02 nan nan 0.82 5.018711925e+02 nan nan 0.84 4.684982703e+02 5.953194630e+02 nan 0.86 4.371926089e+02 5.590837575e+02 6.057596003e+02 0.88 4.078334058e+02 5.249081644e+02 5.701059108e+02 0.90 3.803065545e+02 4.926818765e+02 5.364159458e+02 0.92 3.545042896e+02 4.622997698e+02 5.045869671e+02 0.94 3.303248504e+02 4.336621228e+02 4.745213889e+02 0.96 3.076721612e+02 4.066743498e+02 4.461265280e+02 0.98 2.864555285e+02 3.812467461e+02 4.193143660e+02 1.00 2.665893535e+02 3.572942462e+02 3.940013229e+02 1.02 2.479928598e+02 3.347361930e+02 3.701080402e+02 1.04 2.305898351e+02 3.134961187e+02 3.475591758e+02 1.06 2.143083856e+02 2.935015360e+02 3.262832078e+02 1.08 1.990807041e+02 2.746837389e+02 3.062122471e+02 1.10 1.848428498e+02 2.569776144e+02 2.872818600e+02 1.12 1.715345389e+02 2.403214622e+02 2.694308987e+02 1.14 1.590989470e+02 2.246568237e+02 2.526013395e+02 1.16 1.474825209e+02 2.099283192e+02 2.367381297e+02 1.18 1.366348011e+02 1.960834933e+02 2.217890405e+02 1.20 1.265082525e+02 1.830726673e+02 2.077045286e+02 1.22 1.170581048e+02 1.708487993e+02 1.944376027e+02 1.24 1.082422005e+02 1.593673510e+02 1.819436977e+02 1.26 1.000208516e+02 1.485861607e+02 1.701805544e+02 1.28 9.235670296e+01 1.384653233e+02 1.591081053e+02 1.30 8.521460325e+01 1.289670752e+02 1.486883651e+02 1.32 7.856148273e+01 1.200556855e+02 1.388853276e+02 1.34 7.236623727e+01 1.116973521e+02 1.296648670e+02 1.36 6.659961844e+01 1.038601036e+02 1.209946439e+02 1.38 6.123412953e+01 9.651370490e+01 1.128440157e+02 1.40 5.624392697e+01 8.962956856e+01 1.051839521e+02 1.42 5.160472698e+01 8.318066974e+01 9.798695400e+01 1.44 4.729371721e+01 7.714146567e+01 9.122697634e+01 1.46 4.328947306e+01 7.148781898e+01 8.487935509e+01 1.48 3.957187847e+01 6.619692485e+01 7.892073746e+01 1.50 3.612205095e+01 6.124724172e+01 7.332901566e+01 1.52 3.292227065e+01 5.661842543e+01 6.808326378e+01 1.54 2.995591325e+01 5.229126662e+01 6.316367785e+01 1.56 2.720738646e+01 4.824763123e+01 5.855151871e+01 1.58 2.466207001e+01 4.447040397e+01 5.422905779e+01 1.60 2.230625885e+01 4.094343455e+01 5.017952543e+01 1.62 2.012710952e+01 3.765148666e+01 4.638706182e+01 1.64 1.811258942e+01 3.458018944e+01 4.283667023e+01 1.66 1.625142889e+01 3.171599137e+01 3.951417270e+01 1.68 1.453307591e+01 2.904611658e+01 3.640616774e+01 1.70 1.294765340e+01 2.655852318e+01 3.349999023e+01 1.72 1.148591878e+01 2.424186386e+01 3.078367323e+01 1.74 1.013922589e+01 2.208544836e+01 2.824591168e+01 1.76 8.899489009e+00 2.007920792e+01 2.587602798e+01 1.78 7.759148888e+00 1.821366148e+01 2.366393914e+01 1.80 6.711140761e+00 1.647988366e+01 2.160012565e+01 1.82 5.748864117e+00 1.486947431e+01 1.967560189e+01 1.84 4.866154234e+00 1.337452967e+01 1.788188800e+01 1.86 4.057255330e+00 1.198761502e+01 1.621098314e+01 1.88 3.316795269e+00 1.070173866e+01 1.465534013e+01 1.90 2.639761720e+00 9.510327392e+00 1.320784130e+01 1.92 2.021479712e+00 8.407203082e+00 1.186177564e+01 1.94 1.457590486e+00 7.386560610e+00 1.061081701e+01 1.96 9.440315936e-01 6.442946876e+00 9.449003493e+00 1.98 4.770181650e-01 5.571240952e+00 8.370717841e+00 2.00 5.302527612e-02 4.766635249e+00 7.370668799e+00 2.02 -3.312286283e-01 4.024617715e+00 6.443873494e+00 2.04 -6.787973334e-01 3.340954938e+00 5.585640643e+00 2.06 -9.925215135e-01 2.711676188e+00 4.791554673e+00 2.08 -1.275042515e+00 2.133058276e+00 4.057460611e+00 2.10 -1.528815307e+00 1.601611256e+00 3.379449789e+00 2.12 -1.756120644e+00 1.114064873e+00 2.753846263e+00 2.14 -1.959076496e+00 6.673557559e-01 2.177193939e+00 2.16 -2.139648771e+00 2.586153090e-01 1.646244375e+00 2.18 -2.299669543e+00 -1.148417522e-01 1.157945203e+00 2.20 -2.440964670e+00 -4.555282189e-01 7.094291750e-01 2.22 -2.565068946e+00 -7.657946319e-01 2.980037577e-01 2.24 -2.673025461e+00 -1.047838941e+00 -7.885869990e-02 2.26 -2.766479913e+00 -1.303715650e+00 -4.235303207e-01 2.28 -2.846676803e+00 -1.535344432e+00 -7.382381349e-01 2.30 -2.914767207e+00 -1.744518282e+00 -1.025074536e+00 2.32 -2.971815184e+00 -1.932911203e+00 -1.285983159e+00 2.34 -3.018803779e+00 -2.102085461e+00 -1.522800094e+00 2.36 -3.056640648e+00 -2.253498433e+00 -1.737246821e+00 2.38 -3.086163311e+00 -2.388509064e+00 -1.930932089e+00 2.40 -3.108144079e+00 -2.508383954e+00 -2.105361888e+00 2.42 -3.123294650e+00 -2.614303105e+00 -2.261945456e+00 2.44 -3.132270417e+00 -2.707365327e+00 -2.402000966e+00 2.46 -3.135674486e+00 -2.788593338e+00 -2.526760897e+00 2.48 -3.134061436e+00 -2.858938569e+00 -2.637377118e+00 2.50 -3.127940824e+00 -2.919285688e+00 -2.734925685e+00 2.52 -3.117780466e+00 -2.970456859e+00 -2.820411379e+00 2.54 -3.104009491e+00 -3.013215747e+00 -2.894771993e+00 2.56 -3.087021197e+00 -3.048271296e+00 -2.958882380e+00 2.58 -3.067175709e+00 -3.076281277e+00 -3.013558272e+00 2.60 -3.044802464e+00 -3.097855620e+00 -3.059559892e+00 2.62 -3.020202515e+00 -3.113559558e+00 -3.097595357e+00 2.64 -2.993650695e+00 -3.123916574e+00 -3.128323892e+00 2.66 -2.965397613e+00 -3.129411172e+00 -3.152358862e+00 2.68 -2.935671526e+00 -3.130491476e+00 -3.170270631e+00 2.70 -2.904680071e+00 -3.127571684e+00 -3.182589255e+00 2.72 -2.872611887e+00 -3.121034349e+00 -3.189807026e+00 2.74 -2.839638110e+00 -3.111232545e+00 -3.192380867e+00 2.76 -2.805913768e+00 -3.098491876e+00 -3.190734550e+00 2.78 -2.771579082e+00 -3.083112378e+00 -3.184977669e+00 2.80 -2.736760663e+00 -3.065370287e+00 -3.172757275e+00 2.82 -2.701572630e+00 -3.045519711e+00 -3.149568775e+00 2.84 -2.666117643e+00 -3.023794181e+00 -3.131967563e+00 2.86 -2.630487864e+00 -3.000408117e+00 -3.115467747e+00 2.88 -2.594765846e+00 -2.975558189e+00 -3.096674388e+00 2.90 -2.559025350e+00 -2.949424599e+00 -3.075833801e+00 2.92 -2.523332111e+00 -2.922172274e+00 -3.053172970e+00 2.94 -2.487744541e+00 -2.893951988e+00 -3.028900851e+00 2.96 -2.452314375e+00 -2.864901402e+00 -3.003209605e+00 2.98 -2.417087275e+00 -2.835146044e+00 -2.976275745e+00 3.00 -2.382103386e+00 -2.804800218e+00 -2.948261220e+00 3.02 -2.347397839e+00 -2.773967856e+00 -2.919314434e+00 3.04 -2.313001231e+00 -2.742743313e+00 -2.889571193e+00 3.06 -2.278940052e+00 -2.711212103e+00 -2.859155604e+00 3.08 -2.245237085e+00 -2.679451593e+00 -2.828180909e+00 3.10 -2.211911777e+00 -2.647531642e+00 -2.796750273e+00 3.12 -2.178980570e+00 -2.615515205e+00 -2.764957515e+00 3.14 -2.146457211e+00 -2.583458882e+00 -2.732887800e+00 3.16 -2.114353037e+00 -2.551413442e+00 -2.700618282e+00 3.18 -2.082677235e+00 -2.519424302e+00 -2.668218706e+00 3.20 -2.050882146e+00 -2.487531975e+00 -2.635751968e+00 3.22 -2.005838136e+00 -2.455772482e+00 -2.603274649e+00 3.24 -1.905175043e+00 -2.424177744e+00 -2.570837496e+00 3.26 -1.740912337e+00 -2.392775931e+00 -2.538485888e+00 3.28 -1.698181390e+00 -2.361591801e+00 -2.506260264e+00 3.30 -1.673139670e+00 -2.330647000e+00 -2.474196514e+00 3.32 -1.648520917e+00 -2.299960348e+00 -2.442326360e+00 3.34 -1.624320605e+00 -2.269548103e+00 -2.410677697e+00 3.36 -1.600533514e+00 -2.239424200e+00 -2.379274916e+00 3.38 -1.577153827e+00 -2.209600170e+00 -2.348139203e+00 3.40 -1.554175228e+00 -2.178075705e+00 -2.317288819e+00 3.42 -1.531590988e+00 -2.125287234e+00 -2.286739355e+00 3.44 -1.509394038e+00 -2.005997394e+00 -2.256503978e+00 3.46 -1.487577039e+00 -1.824422238e+00 -2.226593646e+00 3.48 -1.466132449e+00 -1.786980954e+00 -2.197017320e+00 3.50 -1.444693786e+00 -1.760673561e+00 -2.167782152e+00 3.52 -1.405291628e+00 -1.734766441e+00 -2.138893664e+00 3.54 -1.270725607e+00 -1.709260404e+00 -2.110355905e+00 3.56 -9.233743955e-01 -1.684155485e+00 -2.082171611e+00 3.58 -5.521210564e-01 -1.659451026e+00 -2.054342335e+00 3.60 -5.445694760e-01 -1.635145764e+00 -2.026868580e+00 3.62 -5.371006494e-01 -1.611237900e+00 -1.999749916e+00 3.64 -5.297133210e-01 -1.587725170e+00 -1.972985087e+00 3.66 -5.224062778e-01 -1.564604908e+00 -1.946572112e+00 3.68 -5.151783528e-01 -1.541874101e+00 -1.920508372e+00 3.70 -5.080284266e-01 -1.519529443e+00 -1.894790700e+00 3.72 -5.009554287e-01 -1.497567378e+00 -1.869415452e+00 3.74 -4.939583383e-01 -1.475984146e+00 -1.844378578e+00 3.76 -4.870361848e-01 -1.454775820e+00 -1.819675685e+00 3.78 -4.801880476e-01 -1.433938339e+00 -1.795302096e+00 3.80 -4.734130554e-01 -1.413467542e+00 -1.771252900e+00 3.82 -4.667103857e-01 -1.393359189e+00 -1.747523001e+00 3.84 -4.600792632e-01 -1.373608990e+00 -1.724107159e+00 3.86 -4.535189588e-01 -1.354212622e+00 -1.701000032e+00 3.88 -4.470287876e-01 -1.335165751e+00 -1.678196203e+00 3.90 -4.406081071e-01 -1.316464042e+00 -1.655690222e+00 3.92 -4.333134689e-01 -1.295634050e+00 -1.630709720e+00 3.94 -4.130891344e-01 -1.240829154e+00 -1.567176558e+00 3.96 -3.478072294e-01 -1.063050861e+00 -1.359508370e+00 3.98 -1.933605603e-01 -6.168703020e-01 -8.117542029e-01 4.00 -1.085208938e-22 -3.743547368e-22 -3.967923392e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 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