# 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-As # implementation = 2026--Park-J-H--Fe-Cu-As--LAMMPS--ipr1 # composition = AsFe3 # 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 3.855184850e+02 nan nan 0.80 3.646436756e+02 nan nan 0.82 3.447833387e+02 nan nan 0.84 3.258496498e+02 3.351014132e+02 nan 0.86 3.077388598e+02 3.179968996e+02 3.628983431e+02 0.88 2.903338868e+02 3.016983321e+02 3.448066723e+02 0.90 2.735132805e+02 2.861707200e+02 3.273237641e+02 0.92 2.571656640e+02 2.713803482e+02 3.104102306e+02 0.94 2.412062744e+02 2.572945909e+02 2.940339734e+02 0.96 2.255907163e+02 2.438815450e+02 2.781710181e+02 0.98 2.103213928e+02 2.311093634e+02 2.628058384e+02 1.00 1.954443269e+02 2.189451868e+02 2.479310988e+02 1.02 1.810373181e+02 2.073536801e+02 2.335468133e+02 1.04 1.671930955e+02 1.962953803e+02 2.196589951e+02 1.06 1.540021709e+02 1.857253032e+02 2.062779343e+02 1.08 1.415392813e+02 1.755924462e+02 1.934162817e+02 1.10 1.298553897e+02 1.658408440e+02 1.810871338e+02 1.12 1.189752432e+02 1.564126037e+02 1.693022919e+02 1.14 1.088991927e+02 1.472528682e+02 1.580708321e+02 1.16 9.960752958e+01 1.383160164e+02 1.473980678e+02 1.18 9.106576992e+01 1.295718031e+02 1.372849311e+02 1.20 8.322978760e+01 1.210098255e+02 1.277277492e+02 1.22 7.605018626e+01 1.126409089e+02 1.187183593e+02 1.24 6.947568742e+01 1.044947612e+02 1.102444836e+02 1.26 6.345555208e+01 9.661432430e+01 1.022902803e+02 1.28 5.794117525e+01 8.904820260e+01 9.483699157e+01 1.30 5.288703325e+01 8.184298179e+01 8.786362416e+01 1.32 4.825115738e+01 7.503702645e+01 8.134760938e+01 1.34 4.399528105e+01 6.865666404e+01 7.526540890e+01 1.36 4.008477507e+01 6.271487564e+01 6.959304490e+01 1.38 3.648845519e+01 5.721202434e+01 6.430654506e+01 1.40 3.317832093e+01 5.213788384e+01 5.938230166e+01 1.42 3.012926527e+01 4.747424077e+01 5.479734957e+01 1.44 2.731878055e+01 4.319751676e+01 5.052957151e+01 1.46 2.472667583e+01 3.928107233e+01 4.655784066e+01 1.48 2.233481423e+01 3.569704248e+01 4.286211114e+01 1.50 2.012687429e+01 3.241768410e+01 3.942346625e+01 1.52 1.808813635e+01 2.941628797e+01 3.622413363e+01 1.54 1.620529357e+01 2.666773945e+01 3.324747533e+01 1.56 1.446628589e+01 2.414881510e+01 3.047795923e+01 1.58 1.286015495e+01 2.183829310e+01 2.790111759e+01 1.60 1.137691778e+01 1.971693985e+01 2.550349677e+01 1.62 1.000745701e+01 1.776741996e+01 2.327260183e+01 1.64 8.743425623e+00 1.597416333e+01 2.119683850e+01 1.66 7.577164134e+00 1.432321221e+01 1.926545445e+01 1.68 6.501628767e+00 1.280206339e+01 1.746848143e+01 1.70 5.510328879e+00 1.139951464e+01 1.579667911e+01 1.72 4.597272440e+00 1.010552068e+01 1.424148144e+01 1.74 3.756918384e+00 8.911061366e+00 1.279494587e+01 1.76 2.984134849e+00 7.808022955e+00 1.144970564e+01 1.78 2.274162468e+00 6.789092430e+00 1.019892530e+01 1.80 1.622581992e+00 5.847664126e+00 9.036259455e+00 1.82 1.025285611e+00 4.977757676e+00 7.955814496e+00 1.84 4.784514832e-01 4.173946165e+00 6.952113431e+00 1.86 -2.147899980e-02 3.431293334e+00 6.020063456e+00 1.88 -4.778215726e-01 2.745298761e+00 5.154926189e+00 1.90 -8.936674053e-01 2.111850007e+00 4.352290364e+00 1.92 -1.271899632e+00 1.527180826e+00 3.608046796e+00 1.94 -1.615208324e+00 9.878346504e-01 2.918365443e+00 1.96 -1.926104117e+00 4.906326249e-01 2.279674394e+00 1.98 -2.206930635e+00 3.264559835e-02 1.688640619e+00 2.00 -2.459875879e+00 -3.888304744e-01 1.142152325e+00 2.02 -2.686982673e+00 -7.762961636e-01 6.373027941e-01 2.04 -2.890158303e+00 -1.132067642e+00 1.713755413e-01 2.06 -3.071183403e+00 -1.458293530e+00 -2.581692898e-01 2.08 -3.231720190e+00 -1.756969826e+00 -6.537074360e-01 2.10 -3.373320100e+00 -2.029953142e+00 -1.017462004e+00 2.12 -3.497430891e+00 -2.278972499e+00 -1.351514047e+00 2.14 -3.605403251e+00 -2.505639835e+00 -1.657812300e+00 2.16 -3.698496966e+00 -2.711459414e+00 -1.938182160e+00 2.18 -3.777886663e+00 -2.897836259e+00 -2.194333965e+00 2.20 -3.844666927e+00 -3.066083732e+00 -2.427870643e+00 2.22 -3.899857675e+00 -3.217430373e+00 -2.640294786e+00 2.24 -3.944410229e+00 -3.353026080e+00 -2.833015197e+00 2.26 -3.979208992e+00 -3.473947711e+00 -3.007352950e+00 2.28 -4.005132219e+00 -3.581204176e+00 -3.164547015e+00 2.30 -4.023130095e+00 -3.675741075e+00 -3.305759481e+00 2.32 -4.033476652e+00 -3.758444942e+00 -3.432080399e+00 2.34 -4.036908529e+00 -3.830147127e+00 -3.544532302e+00 2.36 -4.034162907e+00 -3.891627362e+00 -3.644074397e+00 2.38 -4.025809588e+00 -3.943617048e+00 -3.731606483e+00 2.40 -4.012377029e+00 -3.986802632e+00 -3.807972597e+00 2.42 -3.994355010e+00 -4.021843648e+00 -3.873964421e+00 2.44 -3.972197149e+00 -4.049382181e+00 -3.930324465e+00 2.46 -3.946323264e+00 -4.069880921e+00 -3.977749040e+00 2.48 -3.917121589e+00 -4.083892046e+00 -4.016891043e+00 2.50 -3.884950862e+00 -4.091941289e+00 -4.048362557e+00 2.52 -3.850142280e+00 -4.094495297e+00 -4.072737302e+00 2.54 -3.813001334e+00 -4.091991365e+00 -4.090552912e+00 2.56 -3.773809542e+00 -4.084839147e+00 -4.102313092e+00 2.58 -3.732826066e+00 -4.073422265e+00 -4.108489626e+00 2.60 -3.690289231e+00 -4.058099821e+00 -4.109524272e+00 2.62 -3.646417953e+00 -4.039207815e+00 -4.105830544e+00 2.64 -3.601413082e+00 -4.017060485e+00 -4.097795374e+00 2.66 -3.555458651e+00 -3.991951563e+00 -4.085780695e+00 2.68 -3.508723056e+00 -3.964155466e+00 -4.070124912e+00 2.70 -3.461360157e+00 -3.933928411e+00 -4.051144300e+00 2.72 -3.413510316e+00 -3.901509478e+00 -4.029134310e+00 2.74 -3.365301360e+00 -3.867121601e+00 -4.004370807e+00 2.76 -3.316849488e+00 -3.830972519e+00 -3.977111240e+00 2.78 -3.268260121e+00 -3.793255660e+00 -3.947659433e+00 2.80 -3.219628695e+00 -3.754150989e+00 -3.916809520e+00 2.82 -3.171041400e+00 -3.713825802e+00 -3.885296198e+00 2.84 -3.122575879e+00 -3.672435479e+00 -3.850731965e+00 2.86 -3.074301871e+00 -3.630124197e+00 -3.814231064e+00 2.88 -3.026281820e+00 -3.587025605e+00 -3.776451330e+00 2.90 -2.978571437e+00 -3.543263461e+00 -3.737548308e+00 2.92 -2.931220232e+00 -3.498952232e+00 -3.697666363e+00 2.94 -2.884272000e+00 -3.454197667e+00 -3.656939365e+00 2.96 -2.837765285e+00 -3.409097337e+00 -3.615491332e+00 2.98 -2.791733805e+00 -3.363741138e+00 -3.573437035e+00 3.00 -2.746206847e+00 -3.318211781e+00 -3.530882572e+00 3.02 -2.701209645e+00 -3.272585241e+00 -3.487925910e+00 3.04 -2.656763715e+00 -3.226931190e+00 -3.444657391e+00 3.06 -2.612887183e+00 -3.181313400e+00 -3.401160217e+00 3.08 -2.569595080e+00 -3.135790130e+00 -3.357510898e+00 3.10 -2.526899616e+00 -3.090414485e+00 -3.313779687e+00 3.12 -2.484810438e+00 -3.045234760e+00 -3.270030977e+00 3.14 -2.443334870e+00 -3.000294760e+00 -3.226323685e+00 3.16 -2.402478128e+00 -2.955634103e+00 -3.182711611e+00 3.18 -2.362243530e+00 -2.911288508e+00 -3.139243771e+00 3.20 -2.322229518e+00 -2.867290067e+00 -3.095964721e+00 3.22 -2.273354299e+00 -2.823667492e+00 -3.052914854e+00 3.24 -2.189784434e+00 -2.780446360e+00 -3.010130682e+00 3.26 -2.069035031e+00 -2.737649336e+00 -2.967645106e+00 3.28 -2.026959877e+00 -2.695296384e+00 -2.925487661e+00 3.30 -1.997006396e+00 -2.653404966e+00 -2.883684753e+00 3.32 -1.967440014e+00 -2.611990229e+00 -2.842259884e+00 3.34 -1.938257788e+00 -2.571065179e+00 -2.801233856e+00 3.36 -1.909456398e+00 -2.530640850e+00 -2.760624969e+00 3.38 -1.881032204e+00 -2.490726004e+00 -2.720449204e+00 3.40 -1.852981293e+00 -2.448434127e+00 -2.680720397e+00 3.42 -1.825299525e+00 -2.376535181e+00 -2.641450401e+00 3.44 -1.797982572e+00 -2.220746687e+00 -2.602649235e+00 3.46 -1.771025954e+00 -2.006222302e+00 -2.564325232e+00 3.48 -1.744425077e+00 -1.960798002e+00 -2.526485169e+00 3.50 -1.717559501e+00 -1.927656911e+00 -2.489134395e+00 3.52 -1.659641282e+00 -1.895060897e+00 -2.452276945e+00 3.54 -1.441973856e+00 -1.863006609e+00 -2.415915653e+00 3.56 -8.830642598e-01 -1.831490077e+00 -2.380052253e+00 3.58 -3.459207839e-01 -1.800506768e+00 -2.344687476e+00 3.60 -3.359118723e-01 -1.770051646e+00 -2.309821138e+00 3.62 -3.261654099e-01 -1.740119229e+00 -2.275452228e+00 3.64 -3.166757550e-01 -1.710703633e+00 -2.241578980e+00 3.66 -3.074373272e-01 -1.681798626e+00 -2.208198950e+00 3.68 -2.984446107e-01 -1.653397666e+00 -2.175309084e+00 3.70 -2.896921567e-01 -1.625493943e+00 -2.142905776e+00 3.72 -2.811745855e-01 -1.598080418e+00 -2.110984935e+00 3.74 -2.728865888e-01 -1.571149857e+00 -2.079542031e+00 3.76 -2.648229313e-01 -1.544694862e+00 -2.048572152e+00 3.78 -2.569784522e-01 -1.518707903e+00 -2.018070045e+00 3.80 -2.493480669e-01 -1.493181343e+00 -1.988030165e+00 3.82 -2.419267678e-01 -1.468107464e+00 -1.958446712e+00 3.84 -2.347096251e-01 -1.443478493e+00 -1.929313667e+00 3.86 -2.276917883e-01 -1.419286617e+00 -1.900624829e+00 3.88 -2.208684861e-01 -1.395524011e+00 -1.872373844e+00 3.90 -2.142350275e-01 -1.372182846e+00 -1.844554234e+00 3.92 -2.072654733e-01 -1.346218774e+00 -1.813345183e+00 3.94 -1.934713506e-01 -1.278865304e+00 -1.729709535e+00 3.96 -1.568999702e-01 -1.068175565e+00 -1.461036121e+00 3.98 -8.102372508e-02 -5.829248540e-01 -8.183322890e-01 4.00 -6.223821653e-23 -3.371578764e-22 -3.667964061e-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 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