# 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 = Ni3Pt # 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 6.322640496e+06 nan nan 0.80 5.708198449e+06 nan nan 0.82 5.153525221e+06 nan nan 0.84 4.651663505e+06 nan nan 0.86 4.196602148e+06 6.060847913e+06 nan 0.88 3.783113391e+06 5.518627425e+06 6.191540391e+06 0.90 3.406661534e+06 5.024615326e+06 5.652293917e+06 0.92 3.063289096e+06 4.573703888e+06 5.159973672e+06 0.94 2.749529770e+06 4.161359697e+06 4.709692581e+06 0.96 2.462348897e+06 3.783601991e+06 4.297096775e+06 0.98 2.199100561e+06 3.436986691e+06 3.918407214e+06 1.00 1.957413044e+06 3.118432169e+06 3.570260241e+06 1.02 1.735188336e+06 2.825237100e+06 3.249746449e+06 1.04 1.530580283e+06 2.554997901e+06 2.954254384e+06 1.06 1.341958594e+06 2.305562275e+06 2.681462865e+06 1.08 1.167832707e+06 2.075060398e+06 2.429292069e+06 1.10 1.006893979e+06 1.861813264e+06 2.195892453e+06 1.12 8.579610921e+05 1.664264865e+06 1.979610655e+06 1.14 7.199892407e+05 1.481042059e+06 1.778938563e+06 1.16 5.920787674e+05 1.310911506e+06 1.592542856e+06 1.18 4.761592334e+05 1.152783742e+06 1.419229324e+06 1.20 3.722609992e+05 1.005644184e+06 1.257907397e+06 1.22 2.853253436e+05 8.686034960e+05 1.107604102e+06 1.24 2.189983228e+05 7.408575162e+05 9.674453832e+05 1.26 1.682990025e+05 6.216790479e+05 8.366361361e+05 1.28 1.294801354e+05 5.118719344e+05 7.144295857e+05 1.30 9.971537167e+04 4.127359072e+05 6.001709432e+05 1.32 7.686182865e+04 3.247878608e+05 4.948451437e+05 1.34 5.928919893e+04 2.545890061e+05 3.994951372e+05 1.36 4.575950612e+04 1.997859743e+05 3.154881284e+05 1.38 3.533241909e+04 1.569419691e+05 2.489611105e+05 1.40 2.728999713e+04 1.234037384e+05 1.966676087e+05 1.42 2.108202079e+04 9.711479346e+04 1.555028122e+05 1.44 1.628708223e+04 7.647789301e+04 1.230555935e+05 1.46 1.258132149e+04 6.025850575e+04 9.745205458e+04 1.48 9.716308556e+03 4.750045810e+04 7.722677369e+04 1.50 7.500907566e+03 3.745711527e+04 6.123335344e+04 1.52 5.787635738e+03 2.954479592e+04 4.857495320e+04 1.54 4.462803457e+03 2.330783636e+04 3.854781060e+04 1.56 3.438555791e+03 1.838914442e+04 3.059833647e+04 1.58 2.646928765e+03 1.450842430e+04 2.429215788e+04 1.60 2.035172766e+03 1.144542265e+04 1.928722781e+04 1.62 1.562658910e+03 9.027091915e+03 1.531351807e+04 1.64 1.197901183e+03 7.117096898e+03 1.215683374e+04 1.66 9.165700966e+02 5.608426100e+03 9.648298689e+03 1.68 6.998353668e+02 4.416898188e+03 7.654680621e+03 1.70 5.330835740e+02 3.476048203e+03 6.070306526e+03 1.72 4.049737301e+02 2.733358826e+03 4.811276944e+03 1.74 3.066920005e+02 2.147172769e+03 3.810874615e+03 1.76 2.314253579e+02 1.684719102e+03 3.016169702e+03 1.78 1.738978073e+02 1.320128403e+03 2.385099645e+03 1.80 1.300107526e+02 1.032916338e+03 1.884198644e+03 1.82 9.660784295e+01 8.068517388e+02 1.486816556e+03 1.84 7.125130641e+01 6.290812558e+02 1.171725883e+03 1.86 5.205836613e+01 4.894472794e+02 9.219534198e+02 1.88 3.757525232e+01 3.799065903e+02 7.241224886e+02 1.90 2.668144347e+01 2.940716723e+02 5.676063208e+02 1.92 1.851499782e+01 2.269052177e+02 4.439287474e+02 1.94 1.241432266e+01 1.744326250e+02 3.463306345e+02 1.96 7.873043282e+00 1.335051629e+02 2.694255058e+02 1.98 4.504592447e+00 1.016497138e+02 2.089223974e+02 2.00 2.014769311e+00 7.691194457e+01 1.614008572e+02 2.02 1.804131589e-01 5.774819095e+01 1.241420797e+02 2.04 -1.167111244e+00 4.294074675e+01 9.498883920e+01 2.06 -2.154382927e+00 3.153043329e+01 7.222561231e+01 2.08 -2.876196443e+00 2.276293944e+01 5.449023852e+01 2.10 -3.403146670e+00 1.604611995e+01 4.070656293e+01 2.12 -3.787443306e+00 1.091542638e+01 3.002226152e+01 2.14 -4.067491863e+00 7.008437249e+00 2.176323464e+01 2.16 -4.271353195e+00 4.042974868e+00 1.539727213e+01 2.18 -4.419363199e+00 1.799303092e+00 1.050467257e+01 2.20 -4.526071795e+00 1.072527987e-01 6.754744357e+00 2.22 -4.601859681e+00 -1.164780015e+00 3.889816259e+00 2.24 -4.654046905e+00 -2.118230382e+00 1.708195737e+00 2.26 -4.687737348e+00 -2.830956757e+00 5.232349492e-02 2.28 -4.706455500e+00 -3.362448007e+00 -1.200505388e+00 2.30 -4.712618864e+00 -3.757928441e+00 -2.145511066e+00 2.32 -4.707885093e+00 -4.051587263e+00 -2.856293079e+00 2.34 -4.693404160e+00 -4.269113175e+00 -3.389491591e+00 2.36 -4.669998969e+00 -4.429675672e+00 -3.788485918e+00 2.38 -4.638269620e+00 -4.547473591e+00 -4.086323380e+00 2.40 -4.598699306e+00 -4.632945497e+00 -4.308033460e+00 2.42 -4.551744365e+00 -4.693698695e+00 -4.472451717e+00 2.44 -4.497823983e+00 -4.735209267e+00 -4.593606750e+00 2.46 -4.437333666e+00 -4.761364786e+00 -4.681841720e+00 2.48 -4.370724204e+00 -4.774959469e+00 -4.744825348e+00 2.50 -4.298465944e+00 -4.777970708e+00 -4.788164508e+00 2.52 -4.221046691e+00 -4.771795368e+00 -4.815919770e+00 2.54 -4.138968635e+00 -4.757413516e+00 -4.831005664e+00 2.56 -4.052743588e+00 -4.735387531e+00 -4.835497991e+00 2.58 -3.962887405e+00 -4.706215650e+00 -4.830868065e+00 2.60 -3.869899335e+00 -4.670329172e+00 -4.818159783e+00 2.62 -3.774129946e+00 -4.628095100e+00 -4.798122121e+00 2.64 -3.676024075e+00 -4.579848773e+00 -4.771307078e+00 2.66 -3.576049896e+00 -4.525915305e+00 -4.738140983e+00 2.68 -3.474656096e+00 -4.466622765e+00 -4.698975415e+00 2.70 -3.372259327e+00 -4.402309399e+00 -4.654122638e+00 2.72 -3.269191042e+00 -4.333321958e+00 -4.603871893e+00 2.74 -3.165797959e+00 -4.260013457e+00 -4.548500190e+00 2.76 -3.062429003e+00 -4.182759007e+00 -4.488309652e+00 2.78 -2.959407546e+00 -4.101942735e+00 -4.423616142e+00 2.80 -2.857030427e+00 -4.017953770e+00 -4.354749612e+00 2.82 -2.755568137e+00 -3.931182503e+00 -4.281928305e+00 2.84 -2.655265285e+00 -3.842002660e+00 -4.205369089e+00 2.86 -2.556341308e+00 -3.750758898e+00 -4.125420442e+00 2.88 -2.458991372e+00 -3.657820552e+00 -4.042435039e+00 2.90 -2.363387416e+00 -3.563546980e+00 -3.956766599e+00 2.92 -2.269679316e+00 -3.468283494e+00 -3.868766784e+00 2.94 -2.177996116e+00 -3.372359514e+00 -3.778782268e+00 2.96 -2.088447311e+00 -3.276087113e+00 -3.687152063e+00 2.98 -2.001124163e+00 -3.179740329e+00 -3.594205169e+00 3.00 -1.916101004e+00 -3.083474217e+00 -3.500258558e+00 3.02 -1.833416226e+00 -2.987520210e+00 -3.405615509e+00 3.04 -1.753090531e+00 -2.892110259e+00 -3.310564277e+00 3.06 -1.675156252e+00 -2.797457482e+00 -3.215377079e+00 3.08 -1.599633951e+00 -2.703756437e+00 -3.120309381e+00 3.10 -1.526533488e+00 -2.611183550e+00 -3.025599447e+00 3.12 -1.455855080e+00 -2.519897664e+00 -2.931468124e+00 3.14 -1.387577327e+00 -2.430040687e+00 -2.838096884e+00 3.16 -1.321660658e+00 -2.341738316e+00 -2.745630372e+00 3.18 -1.258083302e+00 -2.255100817e+00 -2.654236684e+00 3.20 -1.196818053e+00 -2.170223848e+00 -2.564068691e+00 3.22 -1.137832446e+00 -2.087189307e+00 -2.475263613e+00 3.24 -1.081089455e+00 -2.006066186e+00 -2.387943625e+00 3.26 -1.026548133e+00 -1.926911438e+00 -2.302216537e+00 3.28 -9.741642130e-01 -1.849770819e+00 -2.218176503e+00 3.30 -9.238906375e-01 -1.774679736e+00 -2.135904766e+00 3.32 -8.756780595e-01 -1.701661002e+00 -2.055470419e+00 3.34 -8.294752883e-01 -1.630696700e+00 -1.976931169e+00 3.36 -7.852296956e-01 -1.561787451e+00 -1.900334101e+00 3.38 -7.428875819e-01 -1.494936970e+00 -1.825716437e+00 3.40 -7.023945054e-01 -1.430142400e+00 -1.753106269e+00 3.42 -6.636955766e-01 -1.367394951e+00 -1.682523282e+00 3.44 -6.267357211e-01 -1.306680503e+00 -1.613966970e+00 3.46 -5.914599120e-01 -1.247980183e+00 -1.547375433e+00 3.48 -5.578133760e-01 -1.191270891e+00 -1.482738705e+00 3.50 -5.257417734e-01 -1.136525803e+00 -1.420051347e+00 3.52 -4.951913564e-01 -1.083714833e+00 -1.359302857e+00 3.54 -4.661091049e-01 -1.032805067e+00 -1.300478188e+00 3.56 -4.384428443e-01 -9.837611552e-01 -1.243558233e+00 3.58 -4.121413455e-01 -9.365456845e-01 -1.188520274e+00 3.60 -3.871544088e-01 -8.911195122e-01 -1.135338410e+00 3.62 -3.634329344e-01 -8.474420764e-01 -1.083983948e+00 3.64 -3.409289788e-01 -8.054716781e-01 -1.034425775e+00 3.66 -3.195958011e-01 -7.651657377e-01 -9.866306903e-01 3.68 -2.993878973e-01 -7.264810287e-01 -9.405637214e-01 3.70 -2.802610271e-01 -6.893738882e-01 -8.961884129e-01 3.72 -2.621722307e-01 -6.538004072e-01 -8.534670891e-01 3.74 -2.450798399e-01 -6.197166013e-01 -8.123610966e-01 3.76 -2.289434814e-01 -5.870785632e-01 -7.728310242e-01 3.78 -2.137240754e-01 -5.558425987e-01 -7.348369043e-01 3.80 -1.993838286e-01 -5.259653472e-01 -6.983383941e-01 3.82 -1.858862232e-01 -4.974038877e-01 -6.632949402e-01 3.84 -1.731960019e-01 -4.701158322e-01 -6.296603345e-01 3.86 -1.612791499e-01 -4.440594063e-01 -5.973798018e-01 3.88 -1.501028741e-01 -4.191935191e-01 -5.664132103e-01 3.90 -1.396355798e-01 -3.954778235e-01 -5.367214824e-01 3.92 -1.298468459e-01 -3.728727662e-01 -5.082658909e-01 3.94 -1.207073984e-01 -3.513396303e-01 -4.810081413e-01 3.96 -1.121890830e-01 -3.308405696e-01 -4.549104441e-01 3.98 -1.042060508e-01 -3.113386369e-01 -4.299355774e-01 4.00 -9.667713461e-02 -2.927978046e-01 -4.060469416e-01 4.02 -8.958276009e-02 -2.751829814e-01 -3.832086051e-01 4.04 -8.290404782e-02 -2.584600227e-01 -3.613853442e-01 4.06 -7.662258006e-02 -2.425957374e-01 -3.405426758e-01 4.08 -7.072132272e-02 -2.275578895e-01 -3.206468836e-01 4.10 -6.518391721e-02 -2.133151980e-01 -3.016650403e-01 4.12 -5.999457106e-02 -1.998373314e-01 -2.835650234e-01 4.14 -5.513806821e-02 -1.870949016e-01 -2.663155278e-01 4.16 -5.059977223e-02 -1.750594534e-01 -2.498860736e-01 4.18 -4.636562422e-02 -1.637034537e-01 -2.342470112e-01 4.20 -4.242213600e-02 -1.530002780e-01 -2.193695218e-01 4.22 -3.875637554e-02 -1.428839693e-01 -2.052256171e-01 4.24 -3.535595665e-02 -1.332900147e-01 -1.917881343e-01 4.26 -3.220902379e-02 -1.241979315e-01 -1.790307306e-01 4.28 -2.930423511e-02 -1.155879549e-01 -1.669278747e-01 4.30 -2.663074451e-02 -1.074410155e-01 -1.554548372e-01 4.32 -2.417818312e-02 -9.973872256e-02 -1.445876790e-01 4.34 -2.193616496e-02 -9.246334571e-02 -1.343032388e-01 4.36 -1.986077918e-02 -8.559779751e-02 -1.245791194e-01 4.38 -1.792199865e-02 -7.912561562e-02 -1.153936728e-01 4.40 -1.611399691e-02 -7.303094415e-02 -1.067259856e-01 4.42 -1.443113239e-02 -6.729851748e-02 -9.855586200e-02 4.44 -1.286795492e-02 -6.191364240e-02 -9.086380639e-02 4.46 -1.141920938e-02 -5.686197508e-02 -8.363100746e-02 4.48 -1.007983715e-02 -5.212968051e-02 -7.683932120e-02 4.50 -8.844975767e-03 -4.770369472e-02 -7.047125328e-02 4.52 -7.709957059e-03 -4.357177842e-02 -6.450980315e-02 4.54 -6.670304138e-03 -3.972205808e-02 -5.893847831e-02 4.56 -5.721727473e-03 -3.614303466e-02 -5.374187092e-02 4.58 -4.860120252e-03 -3.282359138e-02 -4.890508704e-02 4.60 -4.081553224e-03 -2.975300000e-02 -4.441371972e-02 4.62 -3.382269143e-03 -2.692092275e-02 -4.025384822e-02 4.64 -2.758676960e-03 -2.431741011e-02 -3.641204077e-02 4.66 -2.207345846e-03 -2.193289598e-02 -3.287535038e-02 4.68 -1.724999137e-03 -1.975819064e-02 -2.963130808e-02 4.70 -1.308508261e-03 -1.778089157e-02 -2.666791402e-02 4.72 -9.548866985e-04 -1.598369616e-02 -2.397360786e-02 4.74 -6.612840355e-04 -1.435844073e-02 -2.153677326e-02 4.76 -4.249801165e-04 -1.289810353e-02 -1.934681864e-02 4.78 -2.433793459e-04 -1.159592742e-02 -1.739380585e-02 4.80 -1.140051453e-04 -1.044539659e-02 -1.566809631e-02 4.82 -3.449458458e-05 -9.440235599e-03 -1.416036563e-02 4.84 -2.552300422e-06 -8.574406768e-03 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