# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al # implementation = 2024--Hayakawa-S--Fe-Ni-Al--LAMMPS--ipr1 # composition = FeNi3 # 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 2025-12-17 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 5.326129891e+02 nan nan 1.04 4.841435389e+02 nan nan 1.06 4.421344002e+02 nan nan 1.08 4.060375850e+02 nan nan 1.10 3.752477436e+02 5.388900878e+02 nan 1.12 3.490558562e+02 nan nan 1.14 3.267104546e+02 4.662619091e+02 5.205416444e+02 1.16 3.075359927e+02 4.366522302e+02 4.781132019e+02 1.18 2.909396413e+02 4.104707539e+02 4.420486120e+02 1.20 2.764034838e+02 3.871232458e+02 4.113286829e+02 1.22 2.635652061e+02 3.661955539e+02 3.849793381e+02 1.24 2.520950099e+02 3.473532541e+02 3.620158203e+02 1.26 2.416915145e+02 3.303171224e+02 3.418433984e+02 1.28 2.321114633e+02 3.148286263e+02 3.240011148e+02 1.30 2.231657348e+02 3.006166048e+02 3.080813971e+02 1.32 2.146914748e+02 2.874249882e+02 2.937390785e+02 1.34 2.065442743e+02 2.750656067e+02 2.807417354e+02 1.36 1.985869430e+02 2.633740761e+02 2.689135031e+02 1.38 1.905582990e+02 2.522084210e+02 2.581091151e+02 1.40 1.814859101e+02 2.414547041e+02 2.482021676e+02 1.42 1.715112145e+02 2.310195101e+02 2.390543530e+02 1.44 1.609655244e+02 2.208283532e+02 2.305227670e+02 1.46 1.501320029e+02 2.108248158e+02 2.224715202e+02 1.48 1.391880670e+02 2.009687813e+02 2.147737239e+02 1.50 1.281600214e+02 1.911684417e+02 2.073065311e+02 1.52 1.170876638e+02 1.807104899e+02 1.999546636e+02 1.54 1.060375011e+02 1.695861004e+02 1.926317822e+02 1.56 9.510048607e+01 1.581801976e+02 1.847052624e+02 1.58 8.438479828e+01 1.468129779e+02 1.758771973e+02 1.60 7.400825087e+01 1.356973208e+02 1.664234744e+02 1.62 6.409054322e+01 1.249326731e+02 1.565856062e+02 1.64 5.474499276e+01 1.145427773e+02 1.465778920e+02 1.66 4.607141112e+01 1.045468043e+02 1.365197396e+02 1.68 3.814938681e+01 9.496221770e+01 1.264323803e+02 1.70 3.103335467e+01 8.580421449e+01 1.163484685e+02 1.72 2.474974999e+01 7.708523234e+01 1.063164263e+02 1.74 1.928643783e+01 6.881513112e+01 9.639846057e+01 1.76 1.461583279e+01 6.100257528e+01 8.666706104e+01 1.78 1.069337827e+01 5.365592184e+01 7.720117370e+01 1.80 7.457537011e+00 4.678344712e+01 6.808316661e+01 1.82 4.835148945e+00 4.039280950e+01 5.939448013e+01 1.84 2.746832858e+00 3.447440920e+01 5.121045742e+01 1.86 1.111375886e+00 2.903258487e+01 4.359639311e+01 1.88 -1.500259572e-01 2.408248950e+01 3.660428575e+01 1.90 -1.133447993e+00 1.963075289e+01 3.026996743e+01 1.92 -1.901925918e+00 1.567380482e+01 2.461162056e+01 1.94 -2.491265150e+00 1.219768838e+01 1.962969342e+01 1.96 -2.935262965e+00 9.178983557e+00 1.530813530e+01 1.98 -3.265656103e+00 6.590359669e+00 1.161568668e+01 2.00 -3.512281520e+00 4.401698060e+00 8.508546003e+00 2.02 -3.703028932e+00 2.578389058e+00 5.933961462e+00 2.04 -3.857947522e+00 1.083235728e+00 3.833716930e+00 2.06 -3.985977879e+00 -1.233435847e-01 2.147147352e+00 2.08 -4.093518209e+00 -1.080491569e+00 8.134355389e-01 2.10 -4.183172020e+00 -1.826213319e+00 -2.260163819e-01 2.12 -4.257592241e+00 -2.412642418e+00 -1.048316557e+00 2.14 -4.316964426e+00 -2.879260087e+00 -1.710730801e+00 2.16 -4.359290907e+00 -3.243948779e+00 -2.237998033e+00 2.18 -4.385120234e+00 -3.523736495e+00 -2.653221060e+00 2.20 -4.396820696e+00 -3.734809234e+00 -2.978020792e+00 2.22 -4.396694316e+00 -3.892467276e+00 -3.232790145e+00 2.24 -4.386800002e+00 -4.011171479e+00 -3.436646097e+00 2.26 -4.368775160e+00 -4.104455339e+00 -3.607404512e+00 2.28 -4.343970660e+00 -4.181351683e+00 -3.756617646e+00 2.30 -4.313572509e+00 -4.245894233e+00 -3.888923653e+00 2.32 -4.278612543e+00 -4.301235377e+00 -4.007863913e+00 2.34 -4.239935219e+00 -4.348682313e+00 -4.114465041e+00 2.36 -4.197872463e+00 -4.388894323e+00 -4.208971887e+00 2.38 -4.152463101e+00 -4.421657348e+00 -4.290838793e+00 2.40 -4.103866004e+00 -4.445843879e+00 -4.358478532e+00 2.42 -4.052356329e+00 -4.460578421e+00 -4.410755132e+00 2.44 -3.998245060e+00 -4.466382587e+00 -4.448706120e+00 2.46 -3.941879575e+00 -4.464115464e+00 -4.473959147e+00 2.48 -3.883623254e+00 -4.454507446e+00 -4.488041414e+00 2.50 -3.823843907e+00 -4.438159142e+00 -4.492385663e+00 2.52 -3.762900353e+00 -4.415551344e+00 -4.488319556e+00 2.54 -3.701125714e+00 -4.387124013e+00 -4.477013900e+00 2.56 -3.638808226e+00 -4.353359675e+00 -4.459523627e+00 2.58 -3.576170226e+00 -4.314699298e+00 -4.436810295e+00 2.60 -3.513345729e+00 -4.271588262e+00 -4.409752585e+00 2.62 -3.450348342e+00 -4.224455928e+00 -4.379063863e+00 2.64 -3.387046773e+00 -4.173553636e+00 -4.345032732e+00 2.66 -3.323247080e+00 -4.119114082e+00 -4.307828679e+00 2.68 -3.258756468e+00 -4.061431359e+00 -4.267632607e+00 2.70 -3.193401653e+00 -4.000866570e+00 -4.224643626e+00 2.72 -3.127084097e+00 -3.937848531e+00 -4.179082257e+00 2.74 -3.059761566e+00 -3.872844083e+00 -4.131130100e+00 2.76 -2.991432339e+00 -3.806315707e+00 -4.080906389e+00 2.78 -2.922146926e+00 -3.738700502e+00 -4.028546547e+00 2.80 -2.851999570e+00 -3.670390445e+00 -3.974203380e+00 2.82 -2.781100694e+00 -3.601711601e+00 -3.918039748e+00 2.84 -2.709572119e+00 -3.532907976e+00 -3.860219273e+00 2.86 -2.637546972e+00 -3.464141986e+00 -3.800895473e+00 2.88 -2.565169216e+00 -3.395487756e+00 -3.740199675e+00 2.90 -2.492592669e+00 -3.326956036e+00 -3.678228088e+00 2.92 -2.419979405e+00 -3.258541018e+00 -3.615040933e+00 2.94 -2.347497983e+00 -3.190228333e+00 -3.550695369e+00 2.96 -2.275321434e+00 -3.121997013e+00 -3.485200031e+00 2.98 -2.203624978e+00 -3.053821623e+00 -3.418553092e+00 3.00 -2.132583518e+00 -2.985674512e+00 -3.350788030e+00 3.02 -2.062368944e+00 -2.917533196e+00 -3.281977710e+00 3.04 -1.993146983e+00 -2.849403743e+00 -3.212244397e+00 3.06 -1.925072760e+00 -2.781301683e+00 -3.141725558e+00 3.08 -1.858286667e+00 -2.713244970e+00 -3.070559940e+00 3.10 -1.792911133e+00 -2.645260453e+00 -2.998887535e+00 3.12 -1.729048005e+00 -2.577387514e+00 -2.926849436e+00 3.14 -1.666776408e+00 -2.509681568e+00 -2.854587540e+00 3.16 -1.606147270e+00 -2.442217687e+00 -2.782244163e+00 3.18 -1.547185313e+00 -2.375094131e+00 -2.709961549e+00 3.20 -1.489904159e+00 -2.308428467e+00 -2.637881276e+00 3.22 -1.434309855e+00 -2.242342882e+00 -2.566143585e+00 3.24 -1.380401784e+00 -2.176959458e+00 -2.494886650e+00 3.26 -1.328173559e+00 -2.112398724e+00 -2.424245764e+00 3.28 -1.277613889e+00 -2.048778112e+00 -2.354352490e+00 3.30 -1.228707379e+00 -1.986210291e+00 -2.285333772e+00 3.32 -1.181435261e+00 -1.924799758e+00 -2.217311007e+00 3.34 -1.135776035e+00 -1.864632155e+00 -2.150399113e+00 3.36 -1.091706021e+00 -1.805777675e+00 -2.084705593e+00 3.38 -1.049199807e+00 -1.748294096e+00 -2.020329595e+00 3.40 -1.008230595e+00 -1.692225065e+00 -1.957361002e+00 3.42 -9.687702735e-01 -1.637598608e+00 -1.895879125e+00 3.44 -9.307795647e-01 -1.584426297e+00 -1.835950901e+00 3.46 -8.942042121e-01 -1.532706955e+00 -1.777629557e+00 3.48 -8.589907765e-01 -1.482431139e+00 -1.720953683e+00 3.50 -8.250877868e-01 -1.433581979e+00 -1.665946617e+00 3.52 -7.924453865e-01 -1.386135667e+00 -1.612615217e+00 3.54 -7.610149072e-01 -1.340060291e+00 -1.560945871e+00 3.56 -7.307484288e-01 -1.295319082e+00 -1.510908763e+00 3.58 -7.015982449e-01 -1.251878035e+00 -1.462465056e+00 3.60 -6.735163532e-01 -1.209709742e+00 -1.415572326e+00 3.62 -6.464538878e-01 -1.168786001e+00 -1.370186445e+00 3.64 -6.203605252e-01 -1.129077528e+00 -1.326263228e+00 3.66 -5.951839126e-01 -1.090554354e+00 -1.283760127e+00 3.68 -5.708700352e-01 -1.053186165e+00 -1.242637372e+00 3.70 -5.473827935e-01 -1.016942609e+00 -1.202855197e+00 3.72 -5.247045767e-01 -9.817935502e-01 -1.164371625e+00 3.74 -5.028181113e-01 -9.477092805e-01 -1.127142853e+00 3.76 -4.817054516e-01 -9.146606818e-01 -1.091123772e+00 3.78 -4.613479453e-01 -8.826193873e-01 -1.056268437e+00 3.80 -4.417260429e-01 -8.515590924e-01 -1.022530494e+00 3.82 -4.228188617e-01 -8.214555718e-01 -9.898635297e-01 3.84 -4.046047855e-01 -7.922814031e-01 -9.582159409e-01 3.86 -3.870608269e-01 -7.640017212e-01 -9.275250250e-01 3.88 -3.701628304e-01 -7.365820713e-01 -8.977290804e-01 3.90 -3.538848321e-01 -7.099894851e-01 -8.687693161e-01 3.92 -3.381997772e-01 -6.841922793e-01 -8.405898504e-01 3.94 -3.231001063e-01 -6.591597851e-01 -8.131376705e-01 3.96 -3.085407090e-01 -6.348621349e-01 -7.863625355e-01 3.98 -2.944703901e-01 -6.112699175e-01 -7.602168190e-01 4.00 -2.809583631e-01 -5.883539169e-01 -7.346553226e-01 4.02 -2.679931765e-01 -5.660847706e-01 -7.096350370e-01 4.04 -2.553072030e-01 -5.444325018e-01 -6.851148376e-01 4.06 -2.427818093e-01 -5.233664529e-01 -6.610551538e-01 4.08 -2.308055426e-01 -5.028548551e-01 -6.374175687e-01 4.10 -2.198516028e-01 -4.828634323e-01 -6.141643955e-01 4.12 -2.096042202e-01 -4.633594387e-01 -5.912615053e-01 4.14 -1.994712902e-01 -4.443271612e-01 -5.686955455e-01 4.16 -1.887381632e-01 -4.257562477e-01 -5.464627786e-01 4.18 -1.773662923e-01 -4.076312977e-01 -5.245617330e-01 4.20 -1.656260534e-01 -3.899410073e-01 -5.029930336e-01 4.22 -1.537856362e-01 -3.726834434e-01 -4.817590980e-01 4.24 -1.423355231e-01 -3.558628134e-01 -4.608644028e-01 4.26 -1.315902221e-01 -3.394631101e-01 -4.403144700e-01 4.28 -1.216055460e-01 -3.234489473e-01 -4.201157085e-01 4.30 -1.122249116e-01 -3.077949422e-01 -4.002790073e-01 4.32 -1.034641589e-01 -2.925061025e-01 -3.808147998e-01 4.34 -9.530879707e-02 -2.775986324e-01 -3.617242141e-01 4.36 -8.772243920e-02 -2.630805560e-01 -3.430174473e-01 4.38 -8.066138439e-02 -2.490271724e-01 -3.247261741e-01 4.40 -7.407801888e-02 -2.355051488e-01 -3.068915240e-01 4.42 -6.792852036e-02 -2.223898610e-01 -2.894830081e-01 4.44 -6.218309691e-02 -2.094576351e-01 -2.724278528e-01 4.46 -5.680991161e-02 -1.965757331e-01 -2.557836736e-01 4.48 -5.176940905e-02 -1.839411992e-01 -2.397312497e-01 4.50 -4.703123707e-02 -1.718240271e-01 -2.242885410e-01 4.52 -4.257225427e-02 -1.605769949e-01 -2.093682276e-01 4.54 -3.837492996e-02 -1.499289737e-01 -1.948269449e-01 4.56 -3.440072396e-02 -1.395700941e-01 -1.808537852e-01 4.58 -3.062621967e-02 -1.291411489e-01 -1.677561291e-01 4.60 -2.708367954e-02 -1.183509488e-01 -1.553800207e-01 4.62 -2.379243791e-02 -1.073390471e-01 -1.433146087e-01 4.64 -2.076292833e-02 -9.626818824e-02 -1.311396598e-01 4.66 -1.799894396e-02 -8.527365220e-02 -1.185795569e-01 4.68 -1.549736062e-02 -7.458786181e-02 -1.058717566e-01 4.70 -1.324981657e-02 -6.453082563e-02 -9.321841936e-02 4.72 -1.124447279e-02 -5.528961151e-02 -8.083449624e-02 4.74 -9.467314698e-03 -4.692204714e-02 -6.910312117e-02 4.76 -7.903095686e-03 -3.931828922e-02 -5.826089458e-02 4.78 -6.536006315e-03 -3.253037615e-02 -4.851995138e-02 4.80 -5.350136710e-03 -2.657738533e-02 -3.982590782e-02 4.82 -4.329786382e-03 -2.143474217e-02 -3.220449870e-02 4.84 -3.459664255e-03 -1.705204349e-02 -2.565275601e-02 4.86 -2.725012169e-03 -1.336506735e-02 -2.011462680e-02 4.88 -2.111677364e-03 -1.030361172e-02 -1.550552909e-02 4.90 -1.606152995e-03 -7.796413606e-03 -1.172803906e-02 4.92 -1.195600687e-03 -5.774083899e-03 -8.681493863e-03 4.94 -8.678650031e-04 -4.170743203e-03 -6.267554110e-03 4.96 -6.114865652e-04 -2.924847175e-03 -4.393190638e-03 4.98 -4.157181771e-04 -1.979539918e-03 -2.972115804e-03 5.00 -2.705464704e-04 -1.282760837e-03 -1.925345150e-03 5.02 -1.667203316e-04 -7.872478560e-04 -1.181330679e-03 5.04 -9.578646635e-05 -4.505213613e-04 -6.759330476e-04 5.06 -5.013187602e-05 -2.348934043e-04 -3.523811343e-04 5.08 -2.303267535e-05 -1.075208942e-04 -1.612899011e-04 5.10 -8.708505431e-06 -4.050603116e-05 -6.076025336e-05 5.12 -2.381743493e-06 -1.103891366e-05 -1.655845937e-05 5.14 -3.407422589e-07 -1.573743842e-06 -2.360617553e-06 5.16 -6.417685794e-09 -2.953795224e-08 -4.430692898e-08 5.18 -1.455486111e-21 -3.881296297e-21 -5.821944445e-21 5.20 7.508774984e-38 2.002339996e-37 3.003509994e-37 5.22 1.006083423e-54 2.682889129e-54 4.024333693e-54 5.24 5.944961429e-72 1.585323048e-71 2.377984572e-71 5.26 -3.059698846e-89 -8.159196923e-89 -1.223879539e-88 5.28 -9.358017721e-106 -2.495471392e-105 -3.743207088e-105 5.30 -8.612937414e-123 -2.296783310e-122 -3.445174966e-122 5.32 -2.172978936e-140 -5.794610495e-140 -8.691915742e-140 5.34 6.569441931e-157 1.751851182e-156 2.627776772e-156 5.36 9.559083040e-174 2.549088811e-173 3.823633216e-173 5.38 6.107542656e-191 1.628678042e-190 2.443017062e-190 5.40 -2.131575901e-208 -5.684202402e-208 -8.526303604e-208 5.42 -8.539423027e-225 -2.277179474e-224 -3.415769211e-224 5.44 -8.359045041e-242 -2.229078678e-241 -3.343618017e-241 5.46 -2.752394692e-259 -7.339719179e-259 -1.100957877e-258 5.48 5.598387012e-276 1.492903203e-275 2.239354805e-275 5.50 8.924972019e-293 2.379992538e-292 3.569988808e-292 5.52 6.125925607e-310 1.633580162e-309 2.450370243e-309 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00