# 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 = AlNi # 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 2.778571037e+02 2.778571037e+02 nan nan 0.86 nan nan nan nan 2.533112690e+02 2.533112690e+02 nan nan 0.88 nan nan nan nan 2.312953771e+02 2.312953771e+02 nan nan 0.90 nan nan nan nan 2.115020471e+02 2.115020471e+02 nan nan 0.92 nan nan nan nan 1.933538419e+02 1.933538419e+02 nan nan 0.94 nan nan nan nan 1.771782603e+02 1.771782603e+02 nan nan 0.96 2.758514897e+02 2.758514897e+02 nan nan 1.623651402e+02 1.623651402e+02 nan nan 0.98 2.536657007e+02 2.536657007e+02 nan nan 1.486342986e+02 1.486342986e+02 nan nan 1.00 2.336838603e+02 2.336838603e+02 nan nan 1.365208322e+02 1.365208322e+02 nan nan 1.02 2.147566499e+02 2.147566499e+02 nan nan 1.252096137e+02 1.252096137e+02 nan nan 1.04 1.980111607e+02 1.980111607e+02 nan nan 1.147649630e+02 1.147649630e+02 nan nan 1.06 1.823101341e+02 1.823101341e+02 nan nan 1.054608795e+02 1.054608795e+02 nan nan 1.08 1.680193704e+02 1.680193704e+02 2.385125150e+02 2.385125150e+02 9.717234654e+01 9.717234654e+01 2.553452080e+02 2.553452080e+02 1.10 1.551994739e+02 1.551994739e+02 2.209354754e+02 2.209354754e+02 8.937913139e+01 8.937913139e+01 2.364367393e+02 2.364367393e+02 1.12 1.429397141e+02 1.429397141e+02 2.042849606e+02 2.042849606e+02 8.217750996e+01 8.217750996e+01 2.188942267e+02 2.188942267e+02 1.14 1.316141333e+02 1.316141333e+02 1.888160875e+02 1.888160875e+02 7.544125364e+01 7.544125364e+01 2.027850962e+02 2.027850962e+02 1.16 1.214938468e+02 1.214938468e+02 1.748338039e+02 1.748338039e+02 6.940676052e+01 6.940676052e+01 1.878944680e+02 1.878944680e+02 1.18 1.123059475e+02 1.123059475e+02 1.618048204e+02 1.618048204e+02 6.387613026e+01 6.387613026e+01 1.742358684e+02 1.742358684e+02 1.20 1.034235067e+02 1.034235067e+02 1.503616969e+02 1.503616969e+02 5.888181019e+01 5.888181019e+01 1.614175633e+02 1.614175633e+02 1.22 9.543365372e+01 9.543365372e+01 1.391984314e+02 1.391984314e+02 5.422477637e+01 5.422477637e+01 1.498331143e+02 1.498331143e+02 1.24 8.831922262e+01 8.831922262e+01 1.287309762e+02 1.287309762e+02 4.979384393e+01 4.979384393e+01 1.388518396e+02 1.388518396e+02 1.26 8.142107981e+01 8.142107981e+01 1.193849981e+02 1.193849981e+02 4.578506827e+01 4.578506827e+01 1.288629258e+02 1.288629258e+02 1.28 7.500115001e+01 7.500115001e+01 1.105359795e+02 1.105359795e+02 4.213381559e+01 4.213381559e+01 1.194914803e+02 1.194914803e+02 1.30 6.915480120e+01 6.915480120e+01 1.024110684e+02 1.024110684e+02 3.888309017e+01 3.888309017e+01 1.106972236e+02 1.106972236e+02 1.32 6.361514740e+01 6.361514740e+01 9.467232182e+01 9.467232182e+01 3.567731688e+01 3.567731688e+01 1.025942623e+02 1.025942623e+02 1.34 5.849978481e+01 5.849978481e+01 8.791782511e+01 8.791782511e+01 3.279682254e+01 3.279682254e+01 9.503187132e+01 9.503187132e+01 1.36 5.391081103e+01 5.391081103e+01 8.122778342e+01 8.122778342e+01 3.007126506e+01 3.007126506e+01 8.806508929e+01 8.806508929e+01 1.38 4.981258506e+01 4.981258506e+01 7.505982675e+01 7.505982675e+01 2.759446777e+01 2.759446777e+01 8.164257012e+01 8.164257012e+01 1.40 4.572964312e+01 4.572964312e+01 6.930312297e+01 6.930312297e+01 2.527596461e+01 2.527596461e+01 7.567240048e+01 7.567240048e+01 1.42 4.209602786e+01 4.209602786e+01 6.396121349e+01 6.396121349e+01 2.313792246e+01 2.313792246e+01 7.012508942e+01 7.012508942e+01 1.44 3.858942961e+01 3.858942961e+01 5.939711483e+01 5.939711483e+01 2.136296068e+01 2.136296068e+01 6.480244329e+01 6.480244329e+01 1.46 3.548062957e+01 3.548062957e+01 5.504873988e+01 5.504873988e+01 1.982029312e+01 1.982029312e+01 5.992711714e+01 5.992711714e+01 1.48 3.246457998e+01 3.246457998e+01 5.070394832e+01 5.070394832e+01 1.809177176e+01 1.809177176e+01 5.553609935e+01 5.553609935e+01 1.50 2.988248043e+01 2.988248043e+01 4.666867704e+01 4.666867704e+01 1.649676355e+01 1.649676355e+01 5.125951214e+01 5.125951214e+01 1.52 2.727842666e+01 2.727842666e+01 4.306543950e+01 4.306543950e+01 1.502457131e+01 1.502457131e+01 4.739006767e+01 4.739006767e+01 1.54 2.514362601e+01 2.514362601e+01 3.984358818e+01 3.984358818e+01 1.380320133e+01 1.380320133e+01 4.367599037e+01 4.367599037e+01 1.56 2.288530705e+01 2.288530705e+01 3.656640302e+01 3.656640302e+01 1.253468701e+01 1.253468701e+01 4.023373348e+01 4.023373348e+01 1.58 2.083194404e+01 2.083194404e+01 3.357010347e+01 3.357010347e+01 1.141247415e+01 1.141247415e+01 3.711317432e+01 3.711317432e+01 1.60 1.889402206e+01 1.889402206e+01 3.073537655e+01 3.073537655e+01 1.032644987e+01 1.032644987e+01 3.415645512e+01 3.415645512e+01 1.62 1.710038529e+01 1.710038529e+01 2.810069024e+01 2.810069024e+01 9.323589399e+00 9.323589399e+00 3.131132636e+01 3.131132636e+01 1.64 1.544033569e+01 1.544033569e+01 2.565176212e+01 2.565176212e+01 8.397484221e+00 8.397484221e+00 2.866438451e+01 2.866438451e+01 1.66 1.390402596e+01 1.390402596e+01 2.351597987e+01 2.351597987e+01 7.542256390e+00 7.542256390e+00 2.620165916e+01 2.620165916e+01 1.68 1.248238487e+01 1.248238487e+01 2.152358937e+01 2.152358937e+01 6.820471514e+00 6.820471514e+00 2.400343012e+01 2.400343012e+01 1.70 1.144698577e+01 1.144698577e+01 1.953327431e+01 1.953327431e+01 6.085107389e+00 6.085107389e+00 2.204868087e+01 2.204868087e+01 1.72 1.020609338e+01 1.020609338e+01 1.768386901e+01 1.768386901e+01 5.406265049e+00 5.406265049e+00 2.004099510e+01 2.004099510e+01 1.74 9.058747401e+00 9.058747401e+00 1.610677436e+01 1.610677436e+01 4.920898590e+00 4.920898590e+00 1.826573016e+01 1.826573016e+01 1.76 8.136619507e+00 8.136619507e+00 1.449863782e+01 1.449863782e+01 4.330818383e+00 4.330818383e+00 1.652098855e+01 1.652098855e+01 1.78 7.144665059e+00 7.144665059e+00 1.300515435e+01 1.300515435e+01 3.786522738e+00 3.786522738e+00 1.508980910e+01 1.508980910e+01 1.80 6.228504466e+00 6.228504466e+00 1.161845612e+01 1.161845612e+01 3.284615534e+00 3.284615534e+00 1.356589290e+01 1.356589290e+01 1.82 5.432630352e+00 5.432630352e+00 1.051845597e+01 1.051845597e+01 2.821965112e+00 2.821965112e+00 1.219696813e+01 1.219696813e+01 1.84 4.648171498e+00 4.648171498e+00 9.308964054e+00 9.308964054e+00 2.395682007e+00 2.395682007e+00 1.087715873e+01 1.087715873e+01 1.86 3.924713796e+00 3.924713796e+00 8.461423321e+00 8.461423321e+00 2.140262117e+00 2.140262117e+00 9.747121479e+00 9.747121479e+00 1.88 3.257918168e+00 3.257918168e+00 7.398767243e+00 7.398767243e+00 1.767677091e+00 1.767677091e+00 8.601326050e+00 8.601326050e+00 1.90 2.790054167e+00 2.790054167e+00 6.414107709e+00 6.414107709e+00 1.424965425e+00 1.424965425e+00 7.630215237e+00 7.630215237e+00 1.92 2.213160145e+00 2.213160145e+00 5.502164596e+00 5.502164596e+00 1.109948049e+00 1.109948049e+00 6.686413597e+00 6.686413597e+00 1.94 1.682633658e+00 1.682633658e+00 4.730133919e+00 4.730133919e+00 8.927171027e-01 8.927171027e-01 5.760908131e+00 5.760908131e+00 1.96 1.195189430e+00 1.195189430e+00 3.943769147e+00 3.943769147e+00 6.217319061e-01 6.217319061e-01 4.951078065e+00 4.951078065e+00 1.98 7.477769067e-01 7.477769067e-01 3.216793782e+00 3.216793782e+00 3.732450420e-01 3.732450420e-01 4.153031411e+00 4.153031411e+00 2.00 4.837833600e-01 4.837833600e-01 2.545212622e+00 2.545212622e+00 1.456260503e-01 1.456260503e-01 3.414320869e+00 3.414320869e+00 2.02 9.740156174e-02 9.740156174e-02 1.925302951e+00 1.925302951e+00 -6.263591928e-02 -6.263591928e-02 2.731008238e+00 2.731008238e+00 2.04 -2.560775259e-01 -2.560775259e-01 1.353594642e+00 1.353594642e+00 -2.529414245e-01 -2.529414245e-01 2.267888804e+00 2.267888804e+00 2.06 -5.789864952e-01 -5.789864952e-01 8.268518500e-01 8.268518500e-01 -4.265892675e-01 -4.265892675e-01 1.672225879e+00 1.672225879e+00 2.08 -8.734948515e-01 -8.734948515e-01 3.420561560e-01 3.420561560e-01 -5.847843214e-01 -5.847843214e-01 1.122567825e+00 1.122567825e+00 2.10 -1.041682102e+00 -1.041682102e+00 2.683130232e-02 2.683130232e-02 -6.670494462e-01 -6.670494462e-01 6.414789924e-01 6.414789924e-01 2.12 -1.215260278e+00 -1.215260278e+00 -3.314575342e-01 -3.314575342e-01 -7.685509435e-01 -7.685509435e-01 1.945930416e-01 1.945930416e-01 2.14 -1.448421470e+00 -1.448421470e+00 -7.196886075e-01 -7.196886075e-01 -8.933391124e-01 -8.933391124e-01 -2.378415486e-01 -2.378415486e-01 2.16 -1.659570999e+00 -1.659570999e+00 -1.075222772e+00 -1.075222772e+00 -1.006218621e+00 -1.006218621e+00 -6.111450475e-01 -6.111450475e-01 2.18 -1.850287057e+00 -1.850287057e+00 -1.400268376e+00 -1.400268376e+00 -1.108054769e+00 -1.108054769e+00 -9.294405713e-01 -9.294405713e-01 2.20 -2.022039474e+00 -2.022039474e+00 -1.696888682e+00 -1.696888682e+00 -1.199651830e+00 -1.199651830e+00 -1.267925088e+00 -1.267925088e+00 2.22 -2.176197371e+00 -2.176197371e+00 -1.967011813e+00 -1.967011813e+00 -1.281757528e+00 -1.281757528e+00 -1.577470550e+00 -1.577470550e+00 2.24 -2.241899159e+00 -2.241899159e+00 -2.068165804e+00 -2.068165804e+00 -1.210793026e+00 -1.210793026e+00 -1.860012256e+00 -1.860012256e+00 2.26 -2.369362156e+00 -2.369362156e+00 -2.300093262e+00 -2.300093262e+00 -1.285462859e+00 -1.285462859e+00 -2.117360555e+00 -2.117360555e+00 2.28 -2.482489494e+00 -2.482489494e+00 -2.509960958e+00 -2.509960958e+00 -1.351960128e+00 -1.351960128e+00 -2.351209219e+00 -2.351209219e+00 2.30 -2.582333469e+00 -2.582333469e+00 -2.699282629e+00 -2.699282629e+00 -1.410885212e+00 -1.410885212e+00 -2.563143221e+00 -2.563143221e+00 2.32 -2.669874906e+00 -2.669874906e+00 -2.869474096e+00 -2.869474096e+00 -1.462797065e+00 -1.462797065e+00 -2.648836371e+00 -2.648836371e+00 2.34 -2.746028062e+00 -2.746028062e+00 -3.021859738e+00 -3.021859738e+00 -1.508216141e+00 -1.508216141e+00 -2.828252743e+00 -2.828252743e+00 2.36 -2.811645183e+00 -2.811645183e+00 -3.157678520e+00 -3.157678520e+00 -1.547627093e+00 -1.547627093e+00 -2.894451831e+00 -2.894451831e+00 2.38 -2.867520730e+00 -2.867520730e+00 -3.278089591e+00 -3.278089591e+00 -1.581481280e+00 -1.581481280e+00 -3.044684052e+00 -3.044684052e+00 2.40 -2.914395301e+00 -2.914395301e+00 -3.384177502e+00 -3.384177502e+00 -1.610199089e+00 -1.610199089e+00 -3.178759051e+00 -3.178759051e+00 2.42 -2.952959289e+00 -2.952959289e+00 -3.476957052e+00 -3.476957052e+00 -1.634172082e+00 -1.634172082e+00 -3.203924325e+00 -3.203924325e+00 2.44 -2.983856260e+00 -2.983856260e+00 -3.406775051e+00 -3.406775051e+00 -1.653764991e+00 -1.653764991e+00 -3.314910155e+00 -3.314910155e+00 2.46 -3.007686114e+00 -3.007686114e+00 -3.484812454e+00 -3.484812454e+00 -1.669317567e+00 -1.669317567e+00 -3.412504418e+00 -3.412504418e+00 2.48 -3.025008013e+00 -3.025008013e+00 -3.551664774e+00 -3.551664774e+00 -1.681146295e+00 -1.681146295e+00 -3.497647168e+00 -3.497647168e+00 2.50 -3.036343108e+00 -3.036343108e+00 -3.608142506e+00 -3.608142506e+00 -1.689545988e+00 -1.689545988e+00 -3.571218957e+00 -3.571218957e+00 2.52 -3.042177080e+00 -3.042177080e+00 -3.515897318e+00 -3.515897318e+00 -1.625237798e+00 -1.625237798e+00 -3.634044595e+00 -3.634044595e+00 2.54 -3.042962500e+00 -3.042962500e+00 -3.562342356e+00 -3.562342356e+00 -1.631829099e+00 -1.631829099e+00 -3.636737103e+00 -3.636737103e+00 2.56 -3.039121033e+00 -3.039121033e+00 -3.600031385e+00 -3.600031385e+00 -1.635502796e+00 -1.635502796e+00 -3.683250353e+00 -3.683250353e+00 2.58 -2.883963568e+00 -2.883963568e+00 -3.629616939e+00 -3.629616939e+00 -1.636496154e+00 -1.636496154e+00 -3.721023040e+00 -3.721023040e+00 2.60 -2.880452873e+00 -2.880452873e+00 -3.651709784e+00 -3.651709784e+00 -1.635030289e+00 -1.635030289e+00 -3.750699499e+00 -3.750699499e+00 2.62 -2.872932793e+00 -2.872932793e+00 -3.666881524e+00 -3.666881524e+00 -1.631311242e+00 -1.631311242e+00 -3.772883193e+00 -3.772883193e+00 2.64 -2.861747741e+00 -2.861747741e+00 -3.675667040e+00 -3.675667040e+00 -1.625530980e+00 -1.625530980e+00 -3.788139248e+00 -3.788139248e+00 2.66 -2.847218682e+00 -2.847218682e+00 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