# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Ko-W-S-Hur-J-Hwang-J-Y-Chun-Y-B--Cu-Ni-Ti # implementation = 2024--Ko-W-S--Cu-Ni-Ti--LAMMPS--ipr1 # composition = CuNi3 # 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 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 3.621312876e+02 nan nan 0.92 3.343264709e+02 nan nan 0.94 3.085265672e+02 nan nan 0.96 2.845921721e+02 nan nan 0.98 2.623933121e+02 3.622530911e+02 nan 1.00 2.418088230e+02 3.364880949e+02 nan 1.02 2.227257671e+02 3.124452710e+02 3.357122904e+02 1.04 2.050388891e+02 2.900134570e+02 3.127117832e+02 1.06 1.886501058e+02 2.690884864e+02 2.911815428e+02 1.08 1.734680299e+02 2.495727589e+02 2.710314282e+02 1.10 1.594075236e+02 2.313748351e+02 2.521766451e+02 1.12 1.463892816e+02 2.144090562e+02 2.345374381e+02 1.14 1.343394416e+02 1.985951870e+02 2.180388015e+02 1.16 1.231892196e+02 1.838580793e+02 2.026102040e+02 1.18 1.128745692e+02 1.701273566e+02 1.881853307e+02 1.20 1.033358631e+02 1.573371183e+02 1.747018388e+02 1.22 9.451759586e+01 1.454256603e+02 1.621011263e+02 1.24 8.636810584e+01 1.343352140e+02 1.503281151e+02 1.26 7.883931557e+01 1.240117009e+02 1.393310452e+02 1.28 7.188648931e+01 1.144045018e+02 1.290612807e+02 1.30 6.546800653e+01 1.054662406e+02 1.194731274e+02 1.32 5.954515054e+01 9.715258091e+01 1.105236601e+02 1.34 5.408191098e+01 8.942203527e+01 1.021725595e+02 1.36 4.904479968e+01 8.223578666e+01 9.438195937e+01 1.38 4.440267851e+01 7.555752007e+01 8.711630168e+01 1.40 4.012659891e+01 6.935326513e+01 8.034219995e+01 1.42 3.618965213e+01 6.359124826e+01 7.402831102e+01 1.44 3.256682937e+01 5.824175388e+01 6.814521359e+01 1.46 2.923489145e+01 5.327699438e+01 6.266529415e+01 1.48 2.617224710e+01 4.867098805e+01 5.756263938e+01 1.50 2.335883955e+01 4.439944456e+01 5.281293455e+01 1.52 2.077604066e+01 4.043965769e+01 4.839336825e+01 1.54 1.840655223e+01 3.677040466e+01 4.428254227e+01 1.56 1.623431398e+01 3.337185166e+01 4.046038678e+01 1.58 1.424441775e+01 3.022546548e+01 3.690808072e+01 1.60 1.242302750e+01 2.731393041e+01 3.360797648e+01 1.62 1.075730470e+01 2.462107052e+01 3.054352917e+01 1.64 9.235338887e+00 2.213177680e+01 2.769923014e+01 1.66 7.846082815e+00 1.983193871e+01 2.506054407e+01 1.68 6.579292117e+00 1.770838019e+01 2.261385014e+01 1.70 5.425469033e+00 1.574879965e+01 2.034638642e+01 1.72 4.375809990e+00 1.394171362e+01 1.824619759e+01 1.74 3.422156767e+00 1.227640417e+01 1.630208583e+01 1.76 2.556951006e+00 1.074286939e+01 1.450356450e+01 1.78 1.773191820e+00 9.331777174e+00 1.284081465e+01 1.80 1.064396352e+00 8.034421883e+00 1.130464412e+01 1.82 4.245629962e-01 6.842683670e+00 9.886449002e+00 1.84 -1.518628085e-01 5.748990466e+00 8.578177438e+00 1.86 -6.700204459e-01 4.746282365e+00 7.372295630e+00 1.88 -1.134663790e+00 3.827978202e+00 6.261755768e+00 1.90 -1.550188808e+00 2.987944331e+00 5.239965990e+00 1.92 -1.920659261e+00 2.220465352e+00 4.300762095e+00 1.94 -2.249830620e+00 1.520216680e+00 3.438380922e+00 1.96 -2.541172313e+00 8.822389228e-01 2.647435416e+00 1.98 -2.797888427e+00 3.019138297e-01 1.922891119e+00 2.00 -3.022936969e+00 -2.250581967e-01 1.260044105e+00 2.02 -3.219047766e+00 -7.026791260e-01 6.545002223e-01 2.04 -3.388739133e+00 -1.134673027e+00 1.021553134e-01 2.06 -3.534333352e+00 -1.524504496e+00 -4.008213115e-01 2.08 -3.657971070e+00 -1.875395897e+00 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-4.113984340e+00 -4.169533872e+00 2.46 -3.722605897e+00 -4.110071368e+00 -4.193212964e+00 2.48 -3.669292260e+00 -4.099510234e+00 -4.208069947e+00 2.50 -3.614291672e+00 -4.082952188e+00 -4.214890480e+00 2.52 -3.557564716e+00 -4.060997830e+00 -4.214402387e+00 2.54 -3.499598872e+00 -4.034200739e+00 -4.207279576e+00 2.56 -3.440647638e+00 -4.003070832e+00 -4.194145705e+00 2.58 -3.380940307e+00 -3.968077515e+00 -4.175577604e+00 2.60 -3.320683977e+00 -3.929652612e+00 -4.152108494e+00 2.62 -3.260065402e+00 -3.888193090e+00 -4.124230980e+00 2.64 -3.199252701e+00 -3.844063610e+00 -4.092399862e+00 2.66 -3.138396939e+00 -3.797598891e+00 -4.057034760e+00 2.68 -3.077633579e+00 -3.749105918e+00 -4.018522564e+00 2.70 -3.017083826e+00 -3.698865997e+00 -3.977219733e+00 2.72 -2.956855862e+00 -3.647136665e+00 -3.933454432e+00 2.74 -2.897046219e+00 -3.594153470e+00 -3.887528536e+00 2.76 -2.837742219e+00 -3.540131626e+00 -3.839719502e+00 2.78 -2.779017055e+00 -3.485267552e+00 -3.790282110e+00 2.80 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-2.812550745e+00 3.16 -1.827315610e+00 -2.448029732e+00 -2.759930814e+00 3.18 -1.786882721e+00 -2.398604935e+00 -2.707884110e+00 3.20 -1.747414673e+00 -2.349948090e+00 -2.656439108e+00 3.22 -1.708904213e+00 -2.302072659e+00 -2.605620424e+00 3.24 -1.671343319e+00 -2.254989573e+00 -2.555449150e+00 3.26 -1.634723295e+00 -2.208707479e+00 -2.505943154e+00 3.28 -1.599034855e+00 -2.163232954e+00 -2.457117367e+00 3.30 -1.564268194e+00 -2.118570710e+00 -2.408984044e+00 3.32 -1.530413049e+00 -2.074723778e+00 -2.361553005e+00 3.34 -1.497458755e+00 -2.031693675e+00 -2.314831856e+00 3.36 -1.465394283e+00 -1.989480562e+00 -2.268826200e+00 3.38 -1.434208281e+00 -1.948083386e+00 -2.223539823e+00 3.40 -1.403889099e+00 -1.907500004e+00 -2.178974873e+00 3.42 -1.374424810e+00 -1.867727308e+00 -2.135132015e+00 3.44 -1.345803228e+00 -1.828761322e+00 -2.092010586e+00 3.46 -1.318011909e+00 -1.790597309e+00 -2.049608730e+00 3.48 -1.291038160e+00 -1.753229850e+00 -2.007896934e+00 3.50 -1.264869032e+00 -1.716652927e+00 -1.966227508e+00 3.52 -1.239491313e+00 -1.680859994e+00 -1.922846831e+00 3.54 -1.214891513e+00 -1.645844039e+00 -1.880630711e+00 3.56 -1.191055849e+00 -1.611597638e+00 -1.842112403e+00 3.58 -1.167970222e+00 -1.578113013e+00 -1.804278535e+00 3.60 -1.145620193e+00 -1.545382068e+00 -1.767121626e+00 3.62 -1.123990952e+00 -1.513396430e+00 -1.730633774e+00 3.64 -1.103067292e+00 -1.482147483e+00 -1.694806721e+00 3.66 -1.082833572e+00 -1.451626398e+00 -1.659631906e+00 3.68 -1.063273684e+00 -1.421824153e+00 -1.625100515e+00 3.70 -1.044371019e+00 -1.392731554e+00 -1.591203527e+00 3.72 -1.026108428e+00 -1.364339251e+00 -1.557931759e+00 3.74 -1.008468190e+00 -1.336637751e+00 -1.525275896e+00 3.76 -9.914319781e-01 -1.309617423e+00 -1.493226534e+00 3.78 -9.749808274e-01 -1.283268506e+00 -1.461774201e+00 3.80 -9.590951094e-01 -1.257581106e+00 -1.430909392e+00 3.82 -9.437545092e-01 -1.232545203e+00 -1.400622587e+00 3.84 -9.289380091e-01 -1.208150639e+00 -1.370904276e+00 3.86 -9.146238806e-01 -1.184387115e+00 -1.341744979e+00 3.88 -9.007896853e-01 -1.161244185e+00 -1.313135259e+00 3.90 -8.874122859e-01 -1.138711240e+00 -1.285065742e+00 3.92 -8.744678709e-01 -1.116777500e+00 -1.257527126e+00 3.94 -8.619319925e-01 -1.095431997e+00 -1.230510193e+00 3.96 -8.497796213e-01 -1.074663560e+00 -1.204005822e+00 3.98 -8.379852186e-01 -1.054460800e+00 -1.178004995e+00 4.00 -8.265228273e-01 -1.034812090e+00 -1.152498803e+00 4.02 -8.162902701e-01 -1.015705550e+00 -1.127478456e+00 4.04 -8.195978781e-01 -9.971290254e-01 -1.102935283e+00 4.06 -8.509748852e-01 -9.790700736e-01 -1.078860742e+00 4.08 -8.462009853e-01 -9.615159434e-01 -1.055246419e+00 4.10 -8.310213130e-01 -9.444535611e-01 -1.032084030e+00 4.12 -8.166909035e-01 -9.278695165e-01 -1.009365429e+00 4.14 -8.025562556e-01 -9.117500503e-01 -9.870826009e-01 4.16 -7.886185800e-01 -8.960810462e-01 -9.652276685e-01 4.18 -7.748786549e-01 -8.808480250e-01 -9.437928901e-01 4.20 -7.613368438e-01 -8.660361434e-01 -9.227706597e-01 4.22 -7.479931232e-01 -8.516301981e-01 -9.021535068e-01 4.24 -7.348471163e-01 -8.376146345e-01 -8.819340955e-01 4.26 -7.218981322e-01 -8.241483435e-01 -8.621052229e-01 4.28 -7.091452052e-01 -8.148094063e-01 -8.426598182e-01 4.30 -6.965871349e-01 -8.183912795e-01 -8.235909411e-01 4.32 -6.842225247e-01 -8.290394927e-01 -8.048917797e-01 4.34 -6.720498162e-01 -8.199609461e-01 -7.865556488e-01 4.36 -6.600673210e-01 -8.072569006e-01 -7.685759879e-01 4.38 -6.482732479e-01 -7.946776525e-01 -7.509463587e-01 4.40 -6.361902265e-01 -7.822178957e-01 -7.336604434e-01 4.42 -6.150529066e-01 -7.698737009e-01 -7.167120420e-01 4.44 -5.563455104e-01 -7.576424622e-01 -7.000950701e-01 4.46 -3.736927520e-01 -7.455228162e-01 -6.838035566e-01 4.48 -1.756740369e-01 -7.335145347e-01 -6.678316411e-01 4.50 -1.720183379e-01 -7.216183956e-01 -6.521735718e-01 4.52 -1.684359347e-01 -7.098360369e-01 -6.368237028e-01 4.54 -1.649254149e-01 -6.981697980e-01 -6.217764918e-01 4.56 -1.614853930e-01 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