# 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 = As3Cu # 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 7.914711832e+02 nan nan 0.80 7.395905690e+02 nan nan 0.82 6.909388568e+02 nan nan 0.84 6.453226933e+02 7.644904477e+02 nan 0.86 6.025600064e+02 7.186262737e+02 8.336991817e+02 0.88 5.624793512e+02 6.753706941e+02 7.858823078e+02 0.90 5.249192940e+02 6.345807425e+02 7.406382899e+02 0.92 4.897278336e+02 5.961210801e+02 6.978358265e+02 0.94 4.567618568e+02 5.598635999e+02 6.573500075e+02 0.96 4.258866266e+02 5.256870515e+02 6.190620177e+02 0.98 3.969752985e+02 4.934766826e+02 5.828588515e+02 1.00 3.699084678e+02 4.631238991e+02 5.486330421e+02 1.02 3.445737406e+02 4.345259415e+02 5.162824010e+02 1.04 3.208653312e+02 4.075855778e+02 4.857097710e+02 1.06 2.986836822e+02 3.822108117e+02 4.568227887e+02 1.08 2.779351064e+02 3.583146058e+02 4.295336584e+02 1.10 2.585314496e+02 3.358146190e+02 4.037589366e+02 1.12 2.403897719e+02 3.146329572e+02 3.794193251e+02 1.14 2.234320480e+02 2.946959377e+02 3.564394744e+02 1.16 2.075848844e+02 2.759338649e+02 3.347477958e+02 1.18 1.927792521e+02 2.582808185e+02 3.142762818e+02 1.20 1.789502355e+02 2.416744526e+02 2.949603349e+02 1.22 1.660367944e+02 2.260558053e+02 2.767386045e+02 1.24 1.539815406e+02 2.113691188e+02 2.595528305e+02 1.26 1.427305266e+02 1.975616683e+02 2.433476948e+02 1.28 1.322330460e+02 1.845836004e+02 2.280706796e+02 1.30 1.224414458e+02 1.723877802e+02 2.136719317e+02 1.32 1.133109493e+02 1.609296466e+02 2.001041340e+02 1.34 1.047994886e+02 1.501670745e+02 1.873223817e+02 1.36 9.686754664e+01 1.400602450e+02 1.752840655e+02 1.38 8.947800899e+01 1.305715227e+02 1.639487597e+02 1.40 8.259602296e+01 1.216653387e+02 1.532781152e+02 1.42 7.618886543e+01 1.133080806e+02 1.432357585e+02 1.44 7.022581797e+01 1.054679878e+02 1.337871940e+02 1.46 6.467804905e+01 9.811505252e+01 1.248997125e+02 1.48 5.951850300e+01 9.122092611e+01 1.165423025e+02 1.50 5.472179530e+01 8.475883034e+01 1.086855672e+02 1.52 5.026411381e+01 7.870347318e+01 1.013016438e+02 1.54 4.612312567e+01 7.303096930e+01 9.436412806e+01 1.56 4.227788952e+01 6.771876447e+01 8.784800163e+01 1.58 3.870877273e+01 6.274556426e+01 8.172956303e+01 1.60 3.539737342e+01 5.809126621e+01 7.598636195e+01 1.62 3.232644690e+01 5.373689579e+01 7.059713671e+01 1.64 2.947983638e+01 4.966454561e+01 6.554175466e+01 1.66 2.684240765e+01 4.585731788e+01 6.080115544e+01 1.68 2.439998755e+01 4.229926991e+01 5.635729699e+01 1.70 2.213930599e+01 3.897536243e+01 5.219310413e+01 1.72 2.004794131e+01 3.587141068e+01 4.829241966e+01 1.74 1.811426880e+01 3.297403806e+01 4.463995774e+01 1.76 1.632741225e+01 3.027063221e+01 4.122125964e+01 1.78 1.467719832e+01 2.774930341e+01 3.802265149e+01 1.80 1.315411352e+01 2.539884520e+01 3.503120424e+01 1.82 1.174926371e+01 2.320869701e+01 3.223469541e+01 1.84 1.045433607e+01 2.116890885e+01 2.962157286e+01 1.86 9.261563187e+00 1.927010779e+01 2.718092017e+01 1.88 8.163689275e+00 1.750346623e+01 2.490242385e+01 1.90 7.153938451e+00 1.586067190e+01 2.277634208e+01 1.92 6.225984814e+00 1.433389935e+01 2.079347499e+01 1.94 5.373924341e+00 1.291578306e+01 1.894513645e+01 1.96 4.592248422e+00 1.159939190e+01 1.722312718e+01 1.98 3.875818989e+00 1.037820496e+01 1.561970929e+01 2.00 3.219845119e+00 9.246088714e+00 1.412758194e+01 2.02 2.619861106e+00 8.197275315e+00 1.273985836e+01 2.04 2.071705657e+00 7.226342133e+00 1.145004388e+01 2.06 1.571502564e+00 6.328192347e+00 1.025201521e+01 2.08 1.115642420e+00 5.498036563e+00 9.140000541e+00 2.10 7.007654657e-01 4.731375453e+00 8.108560884e+00 2.12 3.237454815e-01 4.023983297e+00 7.152572160e+00 2.14 -1.832534957e-02 3.371892425e+00 6.267208287e+00 2.16 -3.281506422e-01 2.771378502e+00 5.447925095e+00 2.18 -6.082431521e-01 2.218946592e+00 4.690445055e+00 2.20 -8.609372878e-01 1.711317996e+00 3.990742794e+00 2.22 -1.088400862e+00 1.245417788e+00 3.345031326e+00 2.24 -1.292646109e+00 8.183630473e-01 2.749749019e+00 2.26 -1.475540700e+00 4.274517081e-01 2.201547192e+00 2.28 -1.638896948e+00 7.015204681e-02 1.697278383e+00 2.30 -1.784582626e+00 -2.559072786e-01 1.233985194e+00 2.32 -1.913449578e+00 -5.529466254e-01 8.088897348e-01 2.34 -2.026992726e+00 -8.230442547e-01 4.193835949e-01 2.36 -2.126662375e+00 -1.068144725e+00 6.301834921e-02 2.38 -2.213637527e+00 -1.290066819e+00 -2.625034434e-01 2.40 -2.289008258e+00 -1.490511271e+00 -5.593367783e-01 2.42 -2.353781854e+00 -1.671077315e+00 -8.295022807e-01 2.44 -2.408888557e+00 -1.833269125e+00 -1.074893874e+00 2.46 -2.455186938e+00 -1.978411449e+00 -1.297286024e+00 2.48 -2.493468927e+00 -2.107815909e+00 -1.498340618e+00 2.50 -2.524464511e+00 -2.222705568e+00 -1.679613458e+00 2.52 -2.548846129e+00 -2.324206569e+00 -1.842560426e+00 2.54 -2.567232779e+00 -2.413368665e+00 -1.988543307e+00 2.56 -2.580193854e+00 -2.491169930e+00 -2.118835302e+00 2.58 -2.588252720e+00 -2.558521200e+00 -2.234626242e+00 2.60 -2.591890065e+00 -2.616270255e+00 -2.337027526e+00 2.62 -2.591547019e+00 -2.665205768e+00 -2.427076781e+00 2.64 -2.587628061e+00 -2.706061017e+00 -2.505742272e+00 2.66 -2.580503741e+00 -2.739517389e+00 -2.573927074e+00 2.68 -2.570513205e+00 -2.766207675e+00 -2.632473003e+00 2.70 -2.557966558e+00 -2.786719177e+00 -2.682164346e+00 2.72 -2.543147057e+00 -2.801596625e+00 -2.723731368e+00 2.74 -2.526313161e+00 -2.811344933e+00 -2.757853635e+00 2.76 -2.507700432e+00 -2.816431781e+00 -2.785163151e+00 2.78 -2.487523310e+00 -2.817290050e+00 -2.806323765e+00 2.80 -2.465976753e+00 -2.814320110e+00 -2.822521126e+00 2.82 -2.443237779e+00 -2.807891973e+00 -2.834677461e+00 2.84 -2.419466878e+00 -2.798347308e+00 -2.840504585e+00 2.86 -2.394809341e+00 -2.786001348e+00 -2.841572657e+00 2.88 -2.369396482e+00 -2.771144666e+00 -2.838785629e+00 2.90 -2.343346776e+00 -2.754044856e+00 -2.832516238e+00 2.92 -2.316766916e+00 -2.734948099e+00 -2.823109087e+00 2.94 -2.289752788e+00 -2.714080642e+00 -2.810882484e+00 2.96 -2.262390376e+00 -2.691650179e+00 -2.796130176e+00 2.98 -2.234756603e+00 -2.667847147e+00 -2.779122982e+00 3.00 -2.206920102e+00 -2.642845944e+00 -2.760110328e+00 3.02 -2.178941937e+00 -2.616806070e+00 -2.739321687e+00 3.04 -2.150876259e+00 -2.589873185e+00 -2.716967941e+00 3.06 -2.122770924e+00 -2.562180119e+00 -2.693242652e+00 3.08 -2.094668051e+00 -2.533847799e+00 -2.668323260e+00 3.10 -2.066604544e+00 -2.504986125e+00 -2.642372210e+00 3.12 -2.038612572e+00 -2.475694791e+00 -2.615538005e+00 3.14 -2.010720006e+00 -2.446064044e+00 -2.587956199e+00 3.16 -1.982950828e+00 -2.416175401e+00 -2.559750320e+00 3.18 -1.955325499e+00 -2.386102317e+00 -2.531032748e+00 3.20 -1.928250227e+00 -2.355910803e+00 -2.501905525e+00 3.22 -1.909370750e+00 -2.325660008e+00 -2.472461123e+00 3.24 -1.899247695e+00 -2.295402762e+00 -2.442783154e+00 3.26 -1.829068141e+00 -2.265186079e+00 -2.412947047e+00 3.28 -1.787516786e+00 -2.235051626e+00 -2.383020664e+00 3.30 -1.756562428e+00 -2.205036159e+00 -2.353064893e+00 3.32 -1.725907912e+00 -2.175171932e+00 -2.323134192e+00 3.34 -1.695552734e+00 -2.145487073e+00 -2.293277097e+00 3.36 -1.665494942e+00 -2.116005936e+00 -2.263536699e+00 3.38 -1.635731256e+00 -2.086749522e+00 -2.233951090e+00 3.40 -1.606257191e+00 -2.058333556e+00 -2.204553776e+00 3.42 -1.577067165e+00 -2.035646242e+00 -2.175374060e+00 3.44 -1.548154598e+00 -2.022018386e+00 -2.146437403e+00 3.46 -1.519512008e+00 -1.999659615e+00 -2.117765757e+00 3.48 -1.491131095e+00 -1.968700851e+00 -2.089377877e+00 3.50 -1.462885376e+00 -1.938159463e+00 -2.061289605e+00 3.52 -1.429220303e+00 -1.907980405e+00 -2.033514140e+00 3.54 -1.368172847e+00 -1.878164603e+00 -2.006062285e+00 3.56 -1.233010677e+00 -1.848711561e+00 -1.978942678e+00 3.58 -1.021070662e+00 -1.819619503e+00 -1.952162004e+00 3.60 -1.007839653e+00 -1.790885499e+00 -1.925725187e+00 3.62 -9.947586957e-01 -1.762505588e+00 -1.899635581e+00 3.64 -9.818271228e-01 -1.734474888e+00 -1.873895127e+00 3.66 -9.690440510e-01 -1.706787692e+00 -1.848504515e+00 3.68 -9.564084118e-01 -1.679437570e+00 -1.823463324e+00 3.70 -9.439189763e-01 -1.652417445e+00 -1.798770150e+00 3.72 -9.315743785e-01 -1.625719678e+00 -1.774422730e+00 3.74 -9.193731368e-01 -1.599336138e+00 -1.750418050e+00 3.76 -9.073136729e-01 -1.573258265e+00 -1.726752445e+00 3.78 -8.953943296e-01 -1.547477135e+00 -1.703421695e+00 3.80 -8.836133863e-01 -1.521983511e+00 -1.680421104e+00 3.82 -8.719690735e-01 -1.496767894e+00 -1.657745580e+00 3.84 -8.604595852e-01 -1.471820572e+00 -1.635389702e+00 3.86 -8.490830908e-01 -1.447131657e+00 -1.613347788e+00 3.88 -8.378377451e-01 -1.422691128e+00 -1.591613945e+00 3.90 -8.267216974e-01 -1.398488867e+00 -1.570182126e+00 3.92 -8.143856786e-01 -1.372752846e+00 -1.548097865e+00 3.94 -7.832502155e-01 -1.322089409e+00 -1.511451428e+00 3.96 -6.814140470e-01 -1.170377040e+00 -1.395169179e+00 3.98 -4.096891663e-01 -7.352116181e-01 -9.511872428e-01 4.00 -3.082328349e-22 -6.814759334e-22 -7.344688889e-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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