# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = CrNi # 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 2025-07-01 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan 2.784878255e+02 2.784878255e+02 nan nan 0.86 nan nan nan nan 2.526239491e+02 2.526239491e+02 nan nan 0.88 nan nan nan nan 2.294409062e+02 2.294409062e+02 nan nan 0.90 nan nan nan nan 2.086116052e+02 2.086116052e+02 nan nan 0.92 nan nan nan nan 1.896981193e+02 1.896981193e+02 nan nan 0.94 nan nan nan nan 1.727659241e+02 1.727659241e+02 nan nan 0.96 2.737099854e+02 2.737099854e+02 nan nan 1.573833937e+02 1.573833937e+02 nan nan 0.98 2.503159122e+02 2.503159122e+02 nan nan 1.433056766e+02 1.433056766e+02 nan nan 1.00 2.291751681e+02 2.291751681e+02 nan nan 1.307527495e+02 1.307527495e+02 nan nan 1.02 2.095498954e+02 2.095498954e+02 nan nan 1.192120503e+02 1.192120503e+02 nan nan 1.04 1.919620660e+02 1.919620660e+02 nan nan 1.086579128e+02 1.086579128e+02 nan nan 1.06 1.757098555e+02 1.757098555e+02 nan nan 9.919049210e+01 9.919049210e+01 nan nan 1.08 1.609211916e+02 1.609211916e+02 2.338937827e+02 2.338937827e+02 9.068536300e+01 9.068536300e+01 2.524939008e+02 2.524939008e+02 1.10 1.475570064e+02 1.475570064e+02 2.153535641e+02 2.153535641e+02 8.282673946e+01 8.282673946e+01 2.326123244e+02 2.326123244e+02 1.12 1.350622139e+02 1.350622139e+02 1.980743082e+02 1.980743082e+02 7.562391096e+01 7.562391096e+01 2.142815835e+02 2.142815835e+02 1.14 1.235915088e+02 1.235915088e+02 1.821337166e+02 1.821337166e+02 6.897933205e+01 6.897933205e+01 1.974627268e+02 1.974627268e+02 1.16 1.132421679e+02 1.132421679e+02 1.676359507e+02 1.676359507e+02 6.299281271e+01 6.299281271e+01 1.819748032e+02 1.819748032e+02 1.18 1.038272151e+02 1.038272151e+02 1.542281045e+02 1.542281045e+02 5.752620882e+01 5.752620882e+01 1.677638403e+02 1.677638403e+02 1.20 9.495868272e+01 9.495868272e+01 1.422108070e+02 1.422108070e+02 5.257907947e+01 5.257907947e+01 1.545645909e+02 1.545645909e+02 1.22 8.692899521e+01 8.692899521e+01 1.308167387e+02 1.308167387e+02 4.801505131e+01 4.801505131e+01 1.425435934e+02 1.425435934e+02 1.24 7.969065914e+01 7.969065914e+01 1.202391625e+02 1.202391625e+02 4.375807535e+01 4.375807535e+01 1.313128584e+02 1.313128584e+02 1.26 7.286165548e+01 7.286165548e+01 1.106738950e+02 1.106738950e+02 3.989918152e+01 3.989918152e+01 1.210464713e+02 1.210464713e+02 1.28 6.655769318e+01 6.655769318e+01 1.017427451e+02 1.017427451e+02 3.638607862e+01 3.638607862e+01 1.115032934e+02 1.115032934e+02 1.30 6.080733087e+01 6.080733087e+01 9.353852459e+01 9.353852459e+01 3.322605211e+01 3.322605211e+01 1.026299931e+02 1.026299931e+02 1.32 5.544628979e+01 5.544628979e+01 8.585301049e+01 8.585301049e+01 3.021637539e+01 3.021637539e+01 9.445884103e+01 9.445884103e+01 1.34 5.051918471e+01 5.051918471e+01 7.898423685e+01 7.898423685e+01 2.749859703e+01 2.749859703e+01 8.688277257e+01 8.688277257e+01 1.36 4.606263011e+01 4.606263011e+01 7.240871159e+01 7.240871159e+01 2.496795001e+01 2.496795001e+01 7.990472805e+01 7.990472805e+01 1.38 4.204568284e+01 4.204568284e+01 6.635565381e+01 6.635565381e+01 2.266691208e+01 2.266691208e+01 7.347531213e+01 7.347531213e+01 1.40 3.818792217e+01 3.818792217e+01 6.074566112e+01 6.074566112e+01 2.053816958e+01 2.053816958e+01 6.752722758e+01 6.752722758e+01 1.42 3.471612574e+01 3.471612574e+01 5.556280902e+01 5.556280902e+01 1.858602608e+01 1.858602608e+01 6.202178797e+01 6.202178797e+01 1.44 3.144399454e+01 3.144399454e+01 5.099014175e+01 5.099014175e+01 1.690374833e+01 1.690374833e+01 5.683535502e+01 5.683535502e+01 1.46 2.850878277e+01 2.850878277e+01 4.670000226e+01 4.670000226e+01 1.540984323e+01 1.540984323e+01 5.207433133e+01 5.207433133e+01 1.48 2.573197061e+01 2.573197061e+01 4.256806472e+01 4.256806472e+01 1.387339515e+01 1.387339515e+01 4.774511771e+01 4.774511771e+01 1.50 2.329003006e+01 2.329003006e+01 3.874974772e+01 3.874974772e+01 1.246439160e+01 1.246439160e+01 4.363179932e+01 4.363179932e+01 1.52 2.092881285e+01 2.092881285e+01 3.529940219e+01 3.529940219e+01 1.117217308e+01 1.117217308e+01 3.988385251e+01 3.988385251e+01 1.54 1.890962666e+01 1.890962666e+01 3.218147431e+01 3.218147431e+01 1.006297156e+01 1.006297156e+01 3.635083817e+01 3.635083817e+01 1.56 1.689732431e+01 1.689732431e+01 2.914346989e+01 2.914346989e+01 8.967898195e+00 8.967898195e+00 3.308843198e+01 3.308843198e+01 1.58 1.506790571e+01 1.506790571e+01 2.636309050e+01 2.636309050e+01 7.990309922e+00 7.990309922e+00 3.011370163e+01 3.011370163e+01 1.60 1.336680187e+01 1.336680187e+01 2.376731144e+01 2.376731144e+01 7.067105940e+00 7.067105940e+00 2.733006592e+01 2.733006592e+01 1.62 1.180435607e+01 1.180435607e+01 2.136963612e+01 2.136963612e+01 6.220965336e+00 6.220965336e+00 2.470379493e+01 2.470379493e+01 1.64 1.036973860e+01 1.036973860e+01 1.915531969e+01 1.915531969e+01 5.445633790e+00 5.445633790e+00 2.227441655e+01 2.227441655e+01 1.66 9.053002298e+00 9.053002298e+00 1.718612788e+01 1.718612788e+01 4.735391351e+00 4.735391351e+00 2.002750079e+01 2.002750079e+01 1.68 7.845004497e+00 7.845004497e+00 1.536610762e+01 1.536610762e+01 4.122410551e+00 4.122410551e+00 1.800117515e+01 1.800117515e+01 1.70 6.887307598e+00 6.887307598e+00 1.361030720e+01 1.361030720e+01 3.523370221e+00 3.523370221e+00 1.617687925e+01 1.617687925e+01 1.72 5.857531499e+00 5.857531499e+00 1.199096157e+01 1.199096157e+01 2.975363349e+00 2.975363349e+00 1.438698166e+01 1.438698166e+01 1.74 4.914658941e+00 4.914658941e+00 1.057381756e+01 1.057381756e+01 2.550061811e+00 2.550061811e+00 1.278434155e+01 1.278434155e+01 1.76 4.128323925e+00 4.128323925e+00 9.190916383e+00 9.190916383e+00 2.085008411e+00 2.085008411e+00 1.125268499e+01 1.125268499e+01 1.78 3.332441523e+00 3.332441523e+00 7.917406283e+00 7.917406283e+00 1.660462538e+00 1.660462538e+00 9.941774975e+00 9.941774975e+00 1.80 2.605569453e+00 2.605569453e+00 6.745325826e+00 6.745325826e+00 1.273213552e+00 1.273213552e+00 8.628051455e+00 8.628051455e+00 1.82 1.969397809e+00 1.969397809e+00 5.768580714e+00 5.768580714e+00 9.203116204e-01 9.203116204e-01 7.443092353e+00 7.443092353e+00 1.84 1.362550523e+00 1.362550523e+00 4.768579552e+00 4.768579552e+00 5.990451253e-01 5.990451253e-01 6.324826498e+00 6.324826498e+00 1.86 8.101905283e-01 8.101905283e-01 4.001474376e+00 4.001474376e+00 3.824891730e-01 3.824891730e-01 5.346762767e+00 5.346762767e+00 1.88 3.081191159e-01 3.081191159e-01 3.145458865e+00 3.145458865e+00 1.104119401e-01 1.104119401e-01 4.394871905e+00 4.394871905e+00 1.90 -6.640494451e-02 -6.640494451e-02 2.360989877e+00 2.360989877e+00 -1.363211841e-01 -1.363211841e-01 3.570773428e+00 3.570773428e+00 1.92 -4.863325757e-01 -4.863325757e-01 1.642859288e+00 1.642859288e+00 -3.597101652e-01 -3.597101652e-01 2.789832782e+00 2.789832782e+00 1.94 -8.661232365e-01 -8.661232365e-01 1.025033921e+00 1.025033921e+00 -5.228005837e-01 -5.228005837e-01 2.046052298e+00 2.046052298e+00 1.96 -1.208890588e+00 -1.208890588e+00 4.220994988e-01 4.220994988e-01 -7.082237270e-01 -7.082237270e-01 1.390151950e+00 1.390151950e+00 1.98 -1.517513122e+00 -1.517513122e+00 -1.276780794e-01 -1.276780794e-01 -8.751206397e-01 -8.751206397e-01 7.639817533e-01 7.639817533e-01 2.00 -1.715824322e+00 -1.715824322e+00 -6.281830336e-01 -6.281830336e-01 -1.024958878e+00 -1.024958878e+00 1.915536141e-01 1.915536141e-01 2.02 -1.970523142e+00 -1.970523142e+00 -1.083021740e+00 -1.083021740e+00 -1.159092065e+00 -1.159092065e+00 -3.309841492e-01 -3.309841492e-01 2.04 -2.197930525e+00 -2.197930525e+00 -1.495543496e+00 -1.495543496e+00 -1.278769126e+00 -1.278769126e+00 -7.150267722e-01 -7.150267722e-01 2.06 -2.400199047e+00 -2.400199047e+00 -1.868859609e+00 -1.868859609e+00 -1.385142730e+00 -1.385142730e+00 -1.155826597e+00 -1.155826597e+00 2.08 -2.579320426e+00 -2.579320426e+00 -2.205860953e+00 -2.205860953e+00 -1.479277002e+00 -1.479277002e+00 -1.556126096e+00 -1.556126096e+00 2.10 -2.681698470e+00 -2.681698470e+00 -2.436874699e+00 -2.436874699e+00 -1.527985689e+00 -1.527985689e+00 -1.904646648e+00 -1.904646648e+00 2.12 -2.781789628e+00 -2.781789628e+00 -2.681671254e+00 -2.681671254e+00 -1.584780487e+00 -1.584780487e+00 -2.221792776e+00 -2.221792776e+00 2.14 -2.909425514e+00 -2.909425514e+00 -2.933035932e+00 -2.933035932e+00 -1.651764236e+00 -1.651764236e+00 -2.519358433e+00 -2.519358433e+00 2.16 -3.019914574e+00 -3.019914574e+00 -3.157121557e+00 -3.157121557e+00 -1.709697999e+00 -1.709697999e+00 -2.773950980e+00 -2.773950980e+00 2.18 -3.114656178e+00 -3.114656178e+00 -3.355984944e+00 -3.355984944e+00 -1.759322575e+00 -1.759322575e+00 -2.988871781e+00 -2.988871781e+00 2.20 -3.194945629e+00 -3.194945629e+00 -3.531538571e+00 -3.531538571e+00 -1.801322669e+00 -1.801322669e+00 -3.205514396e+00 -3.205514396e+00 2.22 -3.261981917e+00 -3.261981917e+00 -3.685560846e+00 -3.685560846e+00 -1.836331215e+00 -1.836331215e+00 -3.398016963e+00 -3.398016963e+00 2.24 -3.278060219e+00 -3.278060219e+00 -3.742076314e+00 -3.742076314e+00 -1.787304064e+00 -1.787304064e+00 -3.568180383e+00 -3.568180383e+00 2.26 -3.324748520e+00 -3.324748520e+00 -3.863704494e+00 -3.863704494e+00 -1.815863687e+00 -1.815863687e+00 -3.717681475e+00 -3.717681475e+00 2.28 -3.361053773e+00 -3.361053773e+00 -3.967988149e+00 -3.967988149e+00 -1.838622671e+00 -1.838622671e+00 -3.848081623e+00 -3.848081623e+00 2.30 -3.387872075e+00 -3.387872075e+00 -4.056289928e+00 -4.056289928e+00 -1.856075920e+00 -1.856075920e+00 -3.960834769e+00 -3.960834769e+00 2.32 -3.406032679e+00 -3.406032679e+00 -4.129876968e+00 -4.129876968e+00 -1.868681118e+00 -1.868681118e+00 -3.999016170e+00 -3.999016170e+00 2.34 -3.416302880e+00 -3.416302880e+00 -4.189927538e+00 -4.189927538e+00 -1.876861523e+00 -1.876861523e+00 -4.084672667e+00 -4.084672667e+00 2.36 -3.419392539e+00 -3.419392539e+00 -4.237537200e+00 -4.237537200e+00 -1.881008542e+00 -1.881008542e+00 -4.105127042e+00 -4.105127042e+00 2.38 -3.415958267e+00 -3.415958267e+00 -4.273724532e+00 -4.273724532e+00 -1.881484100e+00 -1.881484100e+00 -4.167217027e+00 -4.167217027e+00 2.40 -3.406607293e+00 -3.406607293e+00 -4.299436429e+00 -4.299436429e+00 -1.878622832e+00 -1.878622832e+00 -4.217036641e+00 -4.217036641e+00 2.42 -3.391901052e+00 -3.391901052e+00 -4.315553038e+00 -4.315553038e+00 -1.872734102e+00 -1.872734102e+00 -4.203715000e+00 -4.203715000e+00 2.44 -3.372358499e+00 -3.372358499e+00 -4.241357049e+00 -4.241357049e+00 -1.864103871e+00 -1.864103871e+00 -4.235493530e+00 -4.235493530e+00 2.46 -3.348459186e+00 -3.348459186e+00 -4.246279887e+00 -4.246279887e+00 -1.852996422e+00 -1.852996422e+00 -4.257506228e+00 -4.257506228e+00 2.48 -3.320646111e+00 -3.320646111e+00 -4.243508117e+00 -4.243508117e+00 -1.839655949e+00 -1.839655949e+00 -4.270564620e+00 -4.270564620e+00 2.50 -3.289328353e+00 -3.289328353e+00 -4.233723670e+00 -4.233723670e+00 -1.824308032e+00 -1.824308032e+00 -4.275423827e+00 -4.275423827e+00 2.52 -3.254883522e+00 -3.254883522e+00 -4.140808812e+00 -4.140808812e+00 -1.768785469e+00 -1.768785469e+00 -4.272786352e+00 -4.272786352e+00 2.54 -3.217660028e+00 -3.217660028e+00 -4.124003694e+00 -4.124003694e+00 -1.752606650e+00 -1.752606650e+00 -4.236152785e+00 -4.236152785e+00 2.56 -3.177979186e+00 -3.177979186e+00 -4.101608665e+00 -4.101608665e+00 -1.734826349e+00 -1.734826349e+00 -4.222230780e+00 -4.222230780e+00 2.58 -3.056777900e+00 -3.056777900e+00 -4.074153068e+00 -4.074153068e+00 -1.715619769e+00 -1.715619769e+00 -4.202519781e+00 -4.202519781e+00 2.60 -3.018228888e+00 -3.018228888e+00 -4.042128056e+00 -4.042128056e+00 -1.695148612e+00 -1.695148612e+00 -4.177552501e+00 -4.177552501e+00 2.62 -2.977705500e+00 -2.977705500e+00 -4.005989172e+00 -4.005989172e+00 -1.673562053e+00 -1.673562053e+00 -4.147823935e+00 -4.147823935e+00 2.64 -2.935460639e+00 -2.935460639e+00 -3.966158759e+00 -3.966158759e+00 -1.650997643e+00 -1.650997643e+00 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