# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPt3 # 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 8.797997258e+06 nan nan 0.80 7.989893683e+06 nan nan 0.82 7.260530020e+06 nan nan 0.84 6.600686819e+06 nan nan 0.86 6.002443215e+06 8.453750267e+06 nan 0.88 5.458936775e+06 7.740700507e+06 8.625914837e+06 0.90 4.964206623e+06 7.091120008e+06 7.916759062e+06 0.92 4.513037736e+06 6.498271025e+06 7.269362591e+06 0.94 4.100886295e+06 5.956191421e+06 6.677283823e+06 0.96 3.723740998e+06 5.459664257e+06 6.134837332e+06 0.98 3.378074963e+06 5.004124198e+06 5.637043194e+06 1.00 3.060763629e+06 4.585551971e+06 5.179493565e+06 1.02 2.769064570e+06 4.200383754e+06 4.758336921e+06 1.04 2.500544018e+06 3.845454263e+06 4.370135997e+06 1.06 2.253038053e+06 3.517917608e+06 4.011810281e+06 1.08 2.024629439e+06 3.215287468e+06 3.680616690e+06 1.10 1.813591437e+06 2.935329044e+06 3.374115960e+06 1.12 1.618376705e+06 2.676021306e+06 3.090122267e+06 1.14 1.437583999e+06 2.435570292e+06 2.826685979e+06 1.16 1.269981020e+06 2.212355047e+06 2.582048269e+06 1.18 1.114459110e+06 2.004926528e+06 2.354634233e+06 1.20 9.699941800e+05 1.811979879e+06 2.143015406e+06 1.22 8.356824199e+05 1.632344227e+06 1.945904287e+06 1.24 7.107010404e+05 1.464943528e+06 1.762141410e+06 1.26 5.942995767e+05 1.308802740e+06 1.590667119e+06 1.28 4.858051859e+05 1.163038028e+06 1.430510279e+06 1.30 3.857000122e+05 1.026851379e+06 1.280803116e+06 1.32 3.018829406e+05 8.995147683e+05 1.140759644e+06 1.34 2.338493596e+05 7.803537615e+05 1.009652416e+06 1.36 1.811397580e+05 6.687645487e+05 8.868232217e+05 1.38 1.404232950e+05 5.641993883e+05 7.716641451e+05 1.40 1.089328860e+05 4.661577887e+05 6.636295734e+05 1.42 8.455154758e+04 3.760963499e+05 5.622062052e+05 1.44 6.565765795e+04 3.000792735e+05 4.669281197e+05 1.46 5.100453336e+04 2.373144889e+05 3.786584627e+05 1.48 3.963132475e+04 1.876723759e+05 3.037902912e+05 1.50 3.079713923e+04 1.485121604e+05 2.417564141e+05 1.52 2.393141997e+04 1.175898867e+05 1.924064702e+05 1.54 1.859378581e+04 9.315225532e+04 1.532236401e+05 1.56 1.444327786e+04 7.382470856e+04 1.220849058e+05 1.58 1.121544899e+04 5.852722871e+04 9.731814937e+04 1.60 8.705076428e+03 4.641016755e+04 7.760458133e+04 1.62 6.752680147e+03 3.680593159e+04 6.190331066e+04 1.64 5.234362267e+03 2.919003564e+04 4.938989534e+04 1.66 4.053984618e+03 2.314879941e+04 3.941108737e+04 1.68 3.136743516e+03 1.835535260e+04 3.145019842e+04 1.70 2.424375194e+03 1.455130917e+04 2.509708831e+04 1.72 1.871485037e+03 1.153219921e+04 2.002566247e+04 1.74 1.442676701e+03 9.135846493e+03 1.597616823e+04 1.76 1.110392399e+03 7.233893865e+03 1.274226725e+04 1.78 8.531374763e+02 5.724594716e+03 1.015961296e+04 1.80 6.541864751e+02 4.527182240e+03 8.097133050e+03 1.82 5.005083939e+02 3.577439029e+03 6.450099718e+03 1.84 3.819582994e+02 2.824343551e+03 5.134875103e+03 1.86 2.906539708e+02 2.227501356e+03 4.084818180e+03 1.88 2.204555170e+02 1.754790232e+03 3.246776086e+03 1.90 1.665838527e+02 1.380641780e+03 2.578264276e+03 1.92 1.253222457e+02 1.084732320e+03 2.045286088e+03 1.94 9.378152005e+01 8.508856731e+02 1.620625326e+03 1.96 6.972299287e+01 6.662613157e+02 1.282513403e+03 1.98 5.141234545e+01 5.206673697e+02 1.013530886e+03 2.00 3.750626647e+01 4.059976448e+02 7.997308372e+02 2.02 2.696827266e+01 3.158067365e+02 6.299565730e+02 2.04 1.899878390e+01 2.449725428e+02 4.952889883e+02 2.06 1.298445894e+01 1.894271768e+02 3.885803976e+02 2.08 8.454330991e+00 1.459423846e+02 3.041095741e+02 2.10 5.047527080e+00 1.119581745e+02 2.373390741e+02 2.12 2.488356906e+00 8.544162449e+01 1.846420778e+02 2.14 5.667889811e-01 6.478965967e+01 1.431207467e+02 2.16 -8.763605928e-01 4.873706695e+01 1.104616992e+02 2.18 -1.961345430e+00 3.628261730e+01 8.481951460e+01 2.20 -2.778695389e+00 2.664016164e+01 6.472300017e+01 2.22 -3.396246573e+00 1.919072647e+01 4.900341466e+01 2.24 -3.864576206e+00 1.344747238e+01 3.673165017e+01 2.26 -4.221193485e+00 9.028297003e+00 2.717105159e+01 2.28 -4.493761702e+00 5.633995620e+00 1.973785015e+01 2.30 -4.702567397e+00 3.030867756e+00 1.397019175e+01 2.32 -4.862400045e+00 1.036878546e+00 9.503398398e+00 2.34 -4.983974555e+00 -4.893389681e-01 6.050143393e+00 2.36 -5.075045481e+00 -1.657227796e+00 3.384577279e+00 2.38 -5.141189769e+00 -2.551192228e+00 1.329628804e+00 2.40 -5.186430323e+00 -3.236062058e+00 -2.531434854e-01 2.42 -5.213719541e+00 -3.761459136e+00 -1.471651951e+00 2.44 -5.225218272e+00 -4.165199754e+00 -2.409855575e+00 2.46 -5.222552945e+00 -4.475963461e+00 -3.132613356e+00 2.48 -5.207025394e+00 -4.715393335e+00 -3.689795577e+00 2.50 -5.179705802e+00 -4.899748227e+00 -4.119769294e+00 2.52 -5.141516826e+00 -5.041182030e+00 -4.451923876e+00 2.54 -5.093291000e+00 -5.148735414e+00 -4.708667192e+00 2.56 -5.035808211e+00 -5.229079784e+00 -4.907001766e+00 2.58 -4.969818881e+00 -5.287155231e+00 -5.059765645e+00 2.60 -4.896057070e+00 -5.326617243e+00 -5.176606127e+00 2.62 -4.815246657e+00 -5.350174621e+00 -5.264741043e+00 2.64 -4.728102934e+00 -5.359850949e+00 -5.329551484e+00 2.66 -4.635331294e+00 -5.357180971e+00 -5.375041107e+00 2.68 -4.537624262e+00 -5.343356624e+00 -5.404190158e+00 2.70 -4.435650974e+00 -5.319334355e+00 -5.419226636e+00 2.72 -4.330007077e+00 -5.285901916e+00 -5.421820117e+00 2.74 -4.221273437e+00 -5.243727746e+00 -5.413229409e+00 2.76 -4.110045186e+00 -5.193440391e+00 -5.394465476e+00 2.78 -3.996889355e+00 -5.135630835e+00 -5.366351497e+00 2.80 -3.882340984e+00 -5.070867934e+00 -5.329583759e+00 2.82 -3.766884712e+00 -4.999708368e+00 -5.284746165e+00 2.84 -3.650968907e+00 -4.922664819e+00 -5.232365783e+00 2.86 -3.535023486e+00 -4.840182746e+00 -5.172967562e+00 2.88 -3.419443209e+00 -4.752788246e+00 -5.107059310e+00 2.90 -3.304572834e+00 -4.661005240e+00 -5.035139865e+00 2.92 -3.190604479e+00 -4.565348751e+00 -4.957703370e+00 2.94 -3.077799353e+00 -4.466322454e+00 -4.875240823e+00 2.96 -2.966419040e+00 -4.364416116e+00 -4.788239811e+00 2.98 -2.856695805e+00 -4.260098332e+00 -4.697183069e+00 3.00 -2.748834034e+00 -4.153794309e+00 -4.602546371e+00 3.02 -2.642994609e+00 -4.045931668e+00 -4.504796110e+00 3.04 -2.539310286e+00 -3.936920703e+00 -4.404386808e+00 3.06 -2.437911328e+00 -3.827148502e+00 -4.301758739e+00 3.08 -2.338906717e+00 -3.716978139e+00 -4.197335775e+00 3.10 -2.242385704e+00 -3.606748200e+00 -4.091523523e+00 3.12 -2.148419379e+00 -3.496772590e+00 -3.984707777e+00 3.14 -2.057062185e+00 -3.387340620e+00 -3.877191881e+00 3.16 -1.968353384e+00 -3.278717310e+00 -3.769200263e+00 3.18 -1.882318459e+00 -3.171143899e+00 -3.661046304e+00 3.20 -1.798970440e+00 -3.064838525e+00 -3.553024386e+00 3.22 -1.718311173e+00 -2.959997028e+00 -3.445407192e+00 3.24 -1.640332495e+00 -2.856793874e+00 -3.338445876e+00 3.26 -1.565017356e+00 -2.755383150e+00 -3.232370410e+00 3.28 -1.492340845e+00 -2.655899627e+00 -3.127390089e+00 3.30 -1.422271158e+00 -2.558459851e+00 -3.023694156e+00 3.32 -1.354770485e+00 -2.463155426e+00 -2.921452530e+00 3.34 -1.289795831e+00 -2.369978956e+00 -2.820816618e+00 3.36 -1.227299773e+00 -2.278974919e+00 -2.721920186e+00 3.38 -1.167231140e+00 -2.190200807e+00 -2.624880272e+00 3.40 -1.109535654e+00 -2.103701741e+00 -2.529798130e+00 3.42 -1.054156490e+00 -2.019511454e+00 -2.436760180e+00 3.44 -1.001034801e+00 -1.937653238e+00 -2.345835399e+00 3.46 -9.501101809e-01 -1.858140859e+00 -2.257064075e+00 3.48 -9.013210857e-01 -1.780979423e+00 -2.170490975e+00 3.50 -8.546052082e-01 -1.706166205e+00 -2.086152777e+00 3.52 -8.098998139e-01 -1.633691422e+00 -2.004076063e+00 3.54 -7.671420382e-01 -1.563538976e+00 -1.924278160e+00 3.56 -7.262691493e-01 -1.495687139e+00 -1.846767947e+00 3.58 -6.872187795e-01 -1.430109197e+00 -1.771546627e+00 3.60 -6.499291274e-01 -1.366774051e+00 -1.698608457e+00 3.62 -6.143391333e-01 -1.305646776e+00 -1.627941437e+00 3.64 -5.803886305e-01 -1.246689131e+00 -1.559527962e+00 3.66 -5.480184748e-01 -1.189860040e+00 -1.493345428e+00 3.68 -5.171706538e-01 -1.135116026e+00 -1.429366809e+00 3.70 -4.877883785e-01 -1.082411614e+00 -1.367561180e+00 3.72 -4.598161583e-01 -1.031699695e+00 -1.307894217e+00 3.74 -4.331998616e-01 -9.829318630e-01 -1.250328649e+00 3.76 -4.078867637e-01 -9.360587148e-01 -1.194824685e+00 3.78 -3.838255822e-01 -8.910301267e-01 -1.141340400e+00 3.80 -3.609665030e-01 -8.477955017e-01 -1.089832090e+00 3.82 -3.392611962e-01 -8.063039919e-01 -1.040254602e+00 3.84 -3.186628247e-01 -7.665046978e-01 -9.925458172e-01 3.86 -2.991260448e-01 -7.283468462e-01 -9.466180928e-01 3.88 -2.806070008e-01 -6.917799478e-01 -9.024238474e-01 3.90 -2.630633151e-01 -6.567539367e-01 -8.599172883e-01 3.92 -2.464540716e-01 -6.232192927e-01 -8.190523583e-01 3.94 -2.307397972e-01 -5.911271483e-01 -7.797829098e-01 3.96 -2.158824379e-01 -5.604293808e-01 -7.420628610e-01 3.98 -2.018453336e-01 -5.310786924e-01 -7.058463349e-01 4.00 -1.885931889e-01 -5.030286777e-01 -6.710877836e-01 4.02 -1.760920435e-01 -4.762338802e-01 -6.377420974e-01 4.04 -1.643092395e-01 -4.506498396e-01 -6.057647010e-01 4.06 -1.532133881e-01 -4.262331301e-01 -5.751116376e-01 4.08 -1.427743357e-01 -4.029413901e-01 -5.457396417e-01 4.10 -1.329631282e-01 -3.807333454e-01 -5.176062018e-01 4.12 -1.237519760e-01 -3.595688257e-01 -4.906696135e-01 4.14 -1.151142177e-01 -3.394087750e-01 -4.648890242e-01 4.16 -1.070242848e-01 -3.202152571e-01 -4.402244703e-01 4.18 -9.945766518e-02 -3.019514565e-01 -4.166369070e-01 4.20 -9.239086824e-02 -2.845816757e-01 -3.940882316e-01 4.22 -8.580138917e-02 -2.680568543e-01 -3.725413021e-01 4.24 -7.966767441e-02 -2.523291973e-01 -3.519599487e-01 4.26 -7.396908733e-02 -2.373675162e-01 -3.323089830e-01 4.28 -6.868587473e-02 -2.231416590e-01 -3.135542009e-01 4.30 -6.379913524e-02 -2.096224903e-01 -2.956623834e-01 4.32 -5.929078423e-02 -1.967818735e-01 -2.786012929e-01 4.34 -5.514322332e-02 -1.845926504e-01 -2.623396677e-01 4.36 -5.130609418e-02 -1.730286205e-01 -2.468472130e-01 4.38 -4.774237281e-02 -1.620645192e-01 -2.320945900e-01 4.40 -4.443945054e-02 -1.516759947e-01 -2.180534035e-01 4.42 -4.138463608e-02 -1.418395854e-01 -2.046961869e-01 4.44 -3.852480087e-02 -1.325326959e-01 -1.919963866e-01 4.46 -3.582650550e-02 -1.237335734e-01 -1.799283447e-01 4.48 -3.328277157e-02 -1.154212834e-01 -1.684672808e-01 4.50 -3.088682451e-02 -1.075756861e-01 -1.575892730e-01 4.52 -2.863191262e-02 -1.001774121e-01 -1.472712381e-01 4.54 -2.651187472e-02 -9.320783836e-02 -1.374909115e-01 4.56 -2.452083725e-02 -8.664906576e-02 -1.282268262e-01 4.58 -2.265314750e-02 -8.048389411e-02 -1.194582922e-01 4.60 -2.090337231e-02 -7.469579822e-02 -1.111653753e-01 4.62 -1.926629533e-02 -6.926890686e-02 -1.033288753e-01 4.64 -1.773691305e-02 -6.418798037e-02 -9.593030568e-02 4.66 -1.631043001e-02 -5.943838866e-02 -8.895187170e-02 4.68 -1.498225322e-02 -5.500608969e-02 -8.237644960e-02 4.70 -1.374798625e-02 -5.086581618e-02 -7.618756578e-02 4.72 -1.260342277e-02 -4.697576322e-02 -7.036937749e-02 4.74 -1.154454007e-02 -4.332383770e-02 -6.490664977e-02 4.76 -1.056749227e-02 -3.990025402e-02 -5.978473520e-02 4.78 -9.668603627e-03 -3.669559602e-02 -5.498955630e-02 4.80 -8.844361768e-03 -3.370078856e-02 -5.050758607e-02 4.82 -8.091411055e-03 -3.090709330e-02 -4.632582964e-02 4.84 -7.406505135e-03 -2.830610317e-02 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