# 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-Pb # implementation = 2026--Park-J-H--Fe-Cu-Pb--LAMMPS--ipr1 # composition = Fe3Pb # 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 8.128958883e+02 nan nan 0.80 7.527558118e+02 nan nan 0.82 6.949783481e+02 nan nan 0.84 6.399580099e+02 7.924101495e+02 nan 0.86 5.880305541e+02 7.487089708e+02 5.423629422e+02 0.88 5.394330236e+02 7.068371193e+02 5.093409855e+02 0.90 4.942883724e+02 6.666135226e+02 4.784447844e+02 0.92 4.526101504e+02 6.278866818e+02 4.495186628e+02 0.94 4.143198885e+02 5.905425111e+02 4.224201029e+02 0.96 3.792700139e+02 5.545087853e+02 3.970185384e+02 0.98 3.472669532e+02 5.197550813e+02 3.731942479e+02 1.00 3.180912782e+02 4.862879895e+02 3.508373488e+02 1.02 2.915135784e+02 4.541423433e+02 3.298468842e+02 1.04 2.673059559e+02 4.233699880e+02 3.101299978e+02 1.06 2.452496879e+02 3.940279728e+02 2.916011898e+02 1.08 2.251398449e+02 3.661679301e+02 2.741816454e+02 1.10 2.067876586e+02 3.398279118e+02 2.577986313e+02 1.12 1.900213269e+02 3.150272830e+02 2.423849507e+02 1.14 1.746857965e+02 2.917646354e+02 2.278784539e+02 1.16 1.606419244e+02 2.700182255e+02 2.142215964e+02 1.18 1.477653005e+02 2.497482150e+02 2.013610402e+02 1.20 1.359449202e+02 2.308999593e+02 1.892472948e+02 1.22 1.250818304e+02 2.134076977e+02 1.778343923e+02 1.24 1.150878216e+02 1.971981666e+02 1.670795939e+02 1.26 1.058842076e+02 1.821938346e+02 1.569431237e+02 1.28 9.740071360e+01 1.683156040e+02 1.473879284e+02 1.30 8.957447762e+01 1.554849387e+02 1.383794586e+02 1.32 8.234916456e+01 1.436254457e+02 1.298854705e+02 1.34 7.567418513e+01 1.326639783e+02 1.218758457e+02 1.36 6.950401144e+01 1.225313433e+02 1.143224270e+02 1.38 6.379757914e+01 1.131626983e+02 1.071988690e+02 1.40 5.851776615e+01 1.044977133e+02 1.004805019e+02 1.42 5.363093884e+01 9.648056226e+01 9.414420732e+01 1.44 4.910655691e+01 8.905979729e+01 8.816830431e+01 1.46 4.491682921e+01 8.218814625e+01 8.253244570e+01 1.48 4.103641387e+01 7.582226417e+01 7.721752287e+01 1.50 3.744215644e+01 6.992246148e+01 7.220557860e+01 1.52 3.411286113e+01 6.445242465e+01 6.747972707e+01 1.54 3.102909029e+01 5.937894026e+01 6.302408042e+01 1.56 2.817298858e+01 5.467162964e+01 5.882368122e+01 1.58 2.552812823e+01 5.030269823e+01 5.486444039e+01 1.60 2.307937261e+01 4.624670224e+01 5.113307994e+01 1.62 2.081275567e+01 4.248033335e+01 4.761708020e+01 1.64 1.871537505e+01 3.898222177e+01 4.430463112e+01 1.66 1.677529716e+01 3.573275683e+01 4.118458729e+01 1.68 1.498147254e+01 3.271392437e+01 3.824642626e+01 1.70 1.332366036e+01 2.990915969e+01 3.548020999e+01 1.72 1.179236066e+01 2.730321492e+01 3.287654916e+01 1.74 1.037875364e+01 2.488203942e+01 3.042656991e+01 1.76 9.074644851e+00 2.263267215e+01 2.812188314e+01 1.78 7.872415853e+00 2.054314477e+01 2.595455574e+01 1.80 6.764979458e+00 1.860239439e+01 2.391708400e+01 1.82 5.745739183e+00 1.680018496e+01 2.200236868e+01 1.84 4.808552368e+00 1.512703651e+01 2.020369187e+01 1.86 3.947696561e+00 1.357416121e+01 1.851469530e+01 1.88 3.157838824e+00 1.213340580e+01 1.692936010e+01 1.90 2.434007642e+00 1.079719940e+01 1.544198786e+01 1.92 1.771567166e+00 9.558506413e+00 1.404718288e+01 1.94 1.166193557e+00 8.410783751e+00 1.273983555e+01 1.96 6.138532152e-01 7.347942117e+00 1.151510671e+01 1.98 1.107827213e-01 6.364310784e+00 1.036841307e+01 2.00 -3.465296835e-01 5.454605558e+00 9.295413355e+00 2.02 -7.613612083e-01 4.613899605e+00 8.291995412e+00 2.04 -1.136770354e+00 3.837596827e+00 7.354263980e+00 2.06 -1.475611586e+00 3.121407540e+00 6.478529230e+00 2.08 -1.780548949e+00 2.461326223e+00 5.661295919e+00 2.10 -2.054068709e+00 1.853611134e+00 4.899253191e+00 2.12 -2.298491096e+00 1.294765604e+00 4.189264932e+00 2.14 -2.515981239e+00 7.815208587e-01 3.528360665e+00 2.16 -2.708559331e+00 3.108202101e-01 2.913726957e+00 2.18 -2.878110118e+00 -1.201955008e-01 2.342699272e+00 2.20 -3.026391723e+00 -5.142013269e-01 1.812754297e+00 2.22 -3.155043895e+00 -8.737006157e-01 1.321502642e+00 2.24 -3.265595698e+00 -1.201036464e+00 8.666819677e-01 2.26 -3.359472690e+00 -1.498402328e+00 4.461504417e-01 2.28 -3.438003636e+00 -1.767851847e+00 5.788056561e-02 2.30 -3.502426777e+00 -2.011307956e+00 -3.000466939e-01 2.32 -3.553895686e+00 -2.230571346e+00 -6.294474579e-01 2.34 -3.593484756e+00 -2.427328324e+00 -9.320402079e-01 2.36 -3.622194317e+00 -2.603158131e+00 -1.209450785e+00 2.38 -3.640955443e+00 -2.759539741e+00 -1.463217130e+00 2.40 -3.650634434e+00 -2.897858206e+00 -1.694793794e+00 2.42 -3.652037020e+00 -3.019410569e+00 -1.905556198e+00 2.44 -3.645912292e+00 -3.125411381e+00 -2.096804704e+00 2.46 -3.632956389e+00 -3.216997850e+00 -2.269768455e+00 2.48 -3.613815945e+00 -3.295234657e+00 -2.425609043e+00 2.50 -3.589091318e+00 -3.361118452e+00 -2.565423974e+00 2.52 -3.559339617e+00 -3.415582064e+00 -2.690249975e+00 2.54 -3.525077534e+00 -3.459498442e+00 -2.801066126e+00 2.56 -3.486783999e+00 -3.493684338e+00 -2.898796836e+00 2.58 -3.444902668e+00 -3.518903769e+00 -2.984314678e+00 2.60 -3.399844251e+00 -3.535871250e+00 -3.058443069e+00 2.62 -3.351988694e+00 -3.545254834e+00 -3.121958829e+00 2.64 -3.301687225e+00 -3.547678955e+00 -3.175594607e+00 2.66 -3.249264267e+00 -3.543727106e+00 -3.220041185e+00 2.68 -3.195019232e+00 -3.533944341e+00 -3.255949667e+00 2.70 -3.139228206e+00 -3.518839634e+00 -3.283933563e+00 2.72 -3.082145515e+00 -3.498888085e+00 -3.304570763e+00 2.74 -3.024005208e+00 -3.474533001e+00 -3.318405419e+00 2.76 -2.965022432e+00 -3.446187845e+00 -3.325949730e+00 2.78 -2.905394728e+00 -3.414238067e+00 -3.327744922e+00 2.80 -2.845303242e+00 -3.379042831e+00 -3.324767221e+00 2.82 -2.784913858e+00 -3.340936631e+00 -3.317906457e+00 2.84 -2.724378261e+00 -3.300230817e+00 -3.305194998e+00 2.86 -2.663834930e+00 -3.257215020e+00 -3.287885925e+00 2.88 -2.603410069e+00 -3.212158506e+00 -3.266781483e+00 2.90 -2.543218478e+00 -3.165311436e+00 -3.242212848e+00 2.92 -2.483364369e+00 -3.116906057e+00 -3.214490662e+00 2.94 -2.423942125e+00 -3.067157824e+00 -3.183906160e+00 2.96 -2.365037019e+00 -3.016266449e+00 -3.150732222e+00 2.98 -2.306725876e+00 -2.964416897e+00 -3.115224390e+00 3.00 -2.249077700e+00 -2.911780310e+00 -3.077621815e+00 3.02 -2.192154257e+00 -2.858514890e+00 -3.038148172e+00 3.04 -2.136010620e+00 -2.804766718e+00 -2.997012515e+00 3.06 -2.080695680e+00 -2.750670531e+00 -2.954410094e+00 3.08 -2.026252620e+00 -2.696350451e+00 -2.910523134e+00 3.10 -1.972719363e+00 -2.641920671e+00 -2.865521563e+00 3.12 -1.920128985e+00 -2.587486098e+00 -2.819563714e+00 3.14 -1.868510105e+00 -2.533142961e+00 -2.772796981e+00 3.16 -1.817887245e+00 -2.478979377e+00 -2.725358447e+00 3.18 -1.768281168e+00 -2.425075893e+00 -2.677375475e+00 3.20 -1.719508202e+00 -2.371505984e+00 -2.628966273e+00 3.22 -1.667035323e+00 -2.318336531e+00 -2.580240427e+00 3.24 -1.597697105e+00 -2.265628264e+00 -2.531299398e+00 3.26 -1.509719778e+00 -2.213436178e+00 -2.482237010e+00 3.28 -1.462986525e+00 -2.161809930e+00 -2.433139896e+00 3.30 -1.423339873e+00 -2.110794207e+00 -2.384087926e+00 3.32 -1.384726254e+00 -2.060429071e+00 -2.335154617e+00 3.34 -1.347142722e+00 -2.010750285e+00 -2.286407512e+00 3.36 -1.310585259e+00 -1.961789623e+00 -2.237908545e+00 3.38 -1.275048877e+00 -1.913575159e+00 -2.189714384e+00 3.40 -1.240527717e+00 -1.866178683e+00 -2.141876756e+00 3.42 -1.207015131e+00 -1.819086601e+00 -2.094442755e+00 3.44 -1.174503759e+00 -1.757976128e+00 -2.047455130e+00 3.46 -1.142985599e+00 -1.647515773e+00 -2.000952561e+00 3.48 -1.112452055e+00 -1.599874940e+00 -1.954969918e+00 3.50 -1.082724192e+00 -1.559515148e+00 -1.909538506e+00 3.52 -1.045256885e+00 -1.519978976e+00 -1.864686296e+00 3.54 -9.569835323e-01 -1.481269510e+00 -1.820438144e+00 3.56 -6.901463986e-01 -1.443388517e+00 -1.776815995e+00 3.58 -3.459207839e-01 -1.406336559e+00 -1.733839081e+00 3.60 -3.359118723e-01 -1.370113089e+00 -1.691524103e+00 3.62 -3.261654099e-01 -1.334716554e+00 -1.649885402e+00 3.64 -3.166757550e-01 -1.300144476e+00 -1.608935124e+00 3.66 -3.074373272e-01 -1.266393541e+00 -1.568683377e+00 3.68 -2.984446107e-01 -1.233459670e+00 -1.529138370e+00 3.70 -2.896921567e-01 -1.201338098e+00 -1.490306552e+00 3.72 -2.811745855e-01 -1.170023432e+00 -1.452192743e+00 3.74 -2.728865888e-01 -1.139509717e+00 -1.414800252e+00 3.76 -2.648229313e-01 -1.109790487e+00 -1.378130991e+00 3.78 -2.569784522e-01 -1.080858819e+00 -1.342185583e+00 3.80 -2.493480669e-01 -1.052707377e+00 -1.306963465e+00 3.82 -2.419267678e-01 -1.025328453e+00 -1.272462977e+00 3.84 -2.347096251e-01 -9.987140034e-01 -1.238681456e+00 3.86 -2.276917883e-01 -9.728556787e-01 -1.205615316e+00 3.88 -2.208684861e-01 -9.477448527e-01 -1.173260131e+00 3.90 -2.142350275e-01 -9.233726426e-01 -1.141610703e+00 3.92 -2.072654733e-01 -8.984829034e-01 -1.109400545e+00 3.94 -1.934713506e-01 -8.570234495e-01 -1.060058278e+00 3.96 -1.568999702e-01 -7.497160774e-01 -9.379840808e-01 3.98 -8.102372508e-02 -4.648390461e-01 -5.965101770e-01 4.00 -6.223821653e-23 -3.750232863e-22 -4.099331397e-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 0.000000000e+00 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