# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr1 # composition = Co3Ni # 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 2022-05-24 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 3.402680671e+04 nan nan 1.02 3.014550434e+04 nan nan 1.04 2.657356594e+04 nan nan 1.06 2.327950379e+04 nan nan 1.08 2.023237214e+04 nan nan 1.10 1.740165467e+04 3.241606668e+04 nan 1.12 1.476822351e+04 2.895180009e+04 3.443938385e+04 1.14 1.231429108e+04 2.573941289e+04 3.092516277e+04 1.16 1.002983699e+04 2.275714427e+04 2.766096524e+04 1.18 7.910669741e+03 1.998217972e+04 2.461925752e+04 1.20 5.948475059e+03 1.738996966e+04 2.177852746e+04 1.22 4.135360944e+03 1.496603086e+04 1.912040166e+04 1.24 2.484299170e+03 1.269413967e+04 1.663214776e+04 1.26 1.482818342e+03 1.056379128e+04 1.430248021e+04 1.28 1.047642499e+03 8.576069685e+03 1.213150439e+04 1.30 8.872938055e+02 6.721712280e+03 1.010805422e+04 1.32 8.045693508e+02 4.998340250e+03 8.226780774e+03 1.34 7.263239433e+02 3.398495694e+03 6.480745686e+03 1.36 6.517363638e+02 2.033911028e+03 4.856960296e+03 1.38 5.815218561e+02 1.283838552e+03 3.343474963e+03 1.40 5.162561520e+02 9.428813446e+02 2.034327359e+03 1.42 4.561977940e+02 8.072236708e+02 1.289116354e+03 1.44 4.014252930e+02 7.330221397e+02 9.363987323e+02 1.46 3.518741816e+02 6.643593795e+02 7.937034140e+02 1.48 3.072806624e+02 5.998210414e+02 7.231366422e+02 1.50 2.673068458e+02 5.397721011e+02 6.592684492e+02 1.52 2.316192845e+02 4.841869041e+02 5.988468126e+02 1.54 1.998503524e+02 4.329387351e+02 5.420583060e+02 1.56 1.716147384e+02 3.858896048e+02 4.888971732e+02 1.58 1.465688772e+02 3.429081225e+02 4.393893635e+02 1.60 1.244356660e+02 3.037790988e+02 3.934731115e+02 1.62 1.049508738e+02 2.682625179e+02 3.511576773e+02 1.64 8.790829194e+01 2.361195307e+02 3.123951912e+02 1.66 7.306544839e+01 2.071401600e+02 2.770339054e+02 1.68 6.018531593e+01 1.811072012e+02 2.448694957e+02 1.70 4.906278881e+01 1.578088847e+02 2.156399297e+02 1.72 3.953579613e+01 1.370401899e+02 1.891292389e+02 1.74 3.144613376e+01 1.185905932e+02 1.651708362e+02 1.76 2.464936394e+01 1.022256433e+02 1.436017733e+02 1.78 1.899482306e+01 8.771548599e+01 1.242290070e+02 1.80 1.433337754e+01 7.485516518e+01 1.068935512e+02 1.82 1.051217894e+01 6.349544508e+01 9.142916100e+01 1.84 7.397311256e+00 5.350184839e+01 7.765822013e+01 1.86 4.888497627e+00 4.475182591e+01 6.544869949e+01 1.88 2.897022990e+00 3.711448172e+01 5.467690173e+01 1.90 1.339239411e+00 3.047489578e+01 4.523405877e+01 1.92 1.334727595e-01 2.472733447e+01 3.700847293e+01 1.94 -7.907336952e-01 1.977797196e+01 2.989897398e+01 1.96 -1.494989892e+00 1.554186119e+01 2.380515759e+01 1.98 -2.034164493e+00 1.194363856e+01 1.863051580e+01 2.00 -2.457309779e+00 8.910230719e+00 1.427817390e+01 2.02 -2.803409314e+00 6.366865178e+00 1.064210707e+01 2.04 -3.096848533e+00 4.240055750e+00 7.621358632e+00 2.06 -3.349840157e+00 2.470997374e+00 5.129845293e+00 2.08 -3.566901617e+00 1.016457282e+00 3.100482685e+00 2.10 -3.750872817e+00 -1.624084192e-01 1.472949930e+00 2.12 -3.904022220e+00 -1.105280975e+00 1.867680851e-01 2.14 -4.028260261e+00 -1.851726095e+00 -8.156929496e-01 2.16 -4.124301716e+00 -2.437111163e+00 -1.586223386e+00 2.18 -4.191907674e+00 -2.892690067e+00 -2.170030216e+00 2.20 -4.230772869e+00 -3.245526426e+00 -2.605541470e+00 2.22 -4.243138795e+00 -3.518403574e+00 -2.924494295e+00 2.24 -4.237517357e+00 -3.729774152e+00 -3.153096073e+00 2.26 -4.227775081e+00 -3.893268149e+00 -3.315339509e+00 2.28 -4.224499564e+00 -4.018457258e+00 -3.437448491e+00 2.30 -4.227487927e+00 -4.110903982e+00 -3.546654518e+00 2.32 -4.229601973e+00 -4.174256186e+00 -3.659960743e+00 2.34 -4.225445093e+00 -4.213963465e+00 -3.777921661e+00 2.36 -4.213311269e+00 -4.238224581e+00 -3.892454894e+00 2.38 -4.193774978e+00 -4.254129276e+00 -3.996466229e+00 2.40 -4.167444694e+00 -4.266215584e+00 -4.087813251e+00 2.42 -4.134885092e+00 -4.278169930e+00 -4.166781171e+00 2.44 -4.096602389e+00 -4.292042438e+00 -4.234336297e+00 2.46 -4.053008242e+00 -4.305911404e+00 -4.290875473e+00 2.48 -4.004374938e+00 -4.316724370e+00 -4.336709114e+00 2.50 -3.950779333e+00 -4.321494040e+00 -4.372108225e+00 2.52 -3.892039797e+00 -4.319364126e+00 -4.397312585e+00 2.54 -3.827670545e+00 -4.310613810e+00 -4.412522961e+00 2.56 -3.756925117e+00 -4.295898356e+00 -4.417871796e+00 2.58 -3.679089366e+00 -4.275667913e+00 -4.413397602e+00 2.60 -3.594248908e+00 -4.250347496e+00 -4.398840652e+00 2.62 -3.504479471e+00 -4.220333991e+00 -4.373920527e+00 2.64 -3.414425000e+00 -4.185990105e+00 -4.338278648e+00 2.66 -3.329588925e+00 -4.147635388e+00 -4.292155275e+00 2.68 -3.252947399e+00 -4.105536432e+00 -4.237401644e+00 2.70 -3.183464119e+00 -4.059920040e+00 -4.178225130e+00 2.72 -3.118030675e+00 -4.010997318e+00 -4.120187156e+00 2.74 -3.053585146e+00 -3.958970488e+00 -4.067280972e+00 2.76 -2.988528299e+00 -3.904078018e+00 -4.019874797e+00 2.78 -2.922689611e+00 -3.846544320e+00 -3.975622239e+00 2.80 -2.855910009e+00 -3.786629049e+00 -3.931731658e+00 2.82 -2.788007287e+00 -3.724605843e+00 -3.886401859e+00 2.84 -2.719150635e+00 -3.660745649e+00 -3.839335481e+00 2.86 -2.648972905e+00 -3.595290478e+00 -3.790575971e+00 2.88 -2.577289090e+00 -3.528419768e+00 -3.740245694e+00 2.90 -2.503893340e+00 -3.460216157e+00 -3.688447338e+00 2.92 -2.428603625e+00 -3.390641732e+00 -3.635267879e+00 2.94 -2.351348938e+00 -3.319543781e+00 -3.580782691e+00 2.96 -2.272431318e+00 -3.246718970e+00 -3.525059833e+00 2.98 -2.193006286e+00 -3.172060382e+00 -3.468165396e+00 3.00 -2.115241114e+00 -3.095751309e+00 -3.410168925e+00 3.02 -2.041538104e+00 -3.018333901e+00 -3.351147763e+00 3.04 -1.973307645e+00 -2.940415851e+00 -3.291189634e+00 3.06 -1.910631445e+00 -2.862100414e+00 -3.230393531e+00 3.08 -1.852809406e+00 -2.782708363e+00 -3.168868006e+00 3.10 -1.799025383e+00 -2.701217004e+00 -3.106726596e+00 3.12 -1.748607523e+00 -2.617196189e+00 -3.044080614e+00 3.14 -1.701003407e+00 -2.531644652e+00 -2.981030011e+00 3.16 -1.655627285e+00 -2.447032099e+00 -2.917534735e+00 3.18 -1.612349077e+00 -2.366736774e+00 -2.853951802e+00 3.20 -1.570537669e+00 -2.292697927e+00 -2.790059133e+00 3.22 -1.529815965e+00 -2.225173310e+00 -2.725838503e+00 3.24 -1.489804514e+00 -2.162849923e+00 -2.661238255e+00 3.26 -1.450142573e+00 -2.103754226e+00 -2.596176820e+00 3.28 -1.410555671e+00 -2.046101247e+00 -2.530537360e+00 3.30 -1.370988429e+00 -1.988435432e+00 -2.464161718e+00 3.32 -1.331784495e+00 -1.931613575e+00 -2.396846008e+00 3.34 -1.293803563e+00 -1.875041676e+00 -2.328366623e+00 3.36 -1.258283957e+00 -1.819311882e+00 -2.258535557e+00 3.38 -1.226180328e+00 -1.765219101e+00 -2.187254783e+00 3.40 -1.198532583e+00 -1.713571066e+00 -2.114573199e+00 3.42 -1.174657124e+00 -1.665090150e+00 -2.040759527e+00 3.44 -1.153767466e+00 -1.620326364e+00 -1.966438479e+00 3.46 -1.134935219e+00 -1.579351315e+00 -1.892800375e+00 3.48 -1.117400812e+00 -1.541713599e+00 -1.821713554e+00 3.50 -1.100631021e+00 -1.506794179e+00 -1.755425188e+00 3.52 -1.084662323e+00 -1.474062998e+00 -1.695777283e+00 3.54 -1.069279910e+00 -1.443128880e+00 -1.643424198e+00 3.56 -1.054433869e+00 -1.413712948e+00 -1.597674576e+00 3.58 -1.040080325e+00 -1.385619330e+00 -1.556970428e+00 3.60 -1.026180918e+00 -1.358720701e+00 -1.519574035e+00 3.62 -1.012702208e+00 -1.332950205e+00 -1.484063026e+00 3.64 -9.996148116e-01 -1.308295246e+00 -1.448967457e+00 3.66 -9.868925524e-01 -1.284787089e+00 -1.415421165e+00 3.68 -9.745118864e-01 -1.262478972e+00 -1.382253648e+00 3.70 -9.624514688e-01 -1.241412512e+00 -1.349467182e+00 3.72 -9.506917988e-01 -1.221585222e+00 -1.317145811e+00 3.74 -9.392149219e-01 -1.202937139e+00 -1.285513476e+00 3.76 -9.280041862e-01 -1.185361968e+00 -1.254990037e+00 3.78 -9.170440360e-01 -1.168731055e+00 -1.226168176e+00 3.80 -9.063198369e-01 -1.152915327e+00 -1.199624364e+00 3.82 -8.958177257e-01 -1.137798402e+00 -1.175651027e+00 3.84 -8.855244808e-01 -1.123281586e+00 -1.154163457e+00 3.86 -8.754274077e-01 -1.109224595e+00 -1.134836207e+00 3.88 -8.655142413e-01 -1.095715854e+00 -1.117283365e+00 3.90 -8.557730550e-01 -1.082588483e+00 -1.101159589e+00 3.92 -8.461921822e-01 -1.069809411e+00 -1.086188652e+00 3.94 -8.367601465e-01 -1.057349135e+00 -1.072159119e+00 3.96 -8.274655946e-01 -1.045181352e+00 -1.058910641e+00 3.98 -8.182972397e-01 -1.033282437e+00 -1.046319886e+00 4.00 -8.092438095e-01 -1.021630981e+00 -1.034290305e+00 4.02 -8.002939969e-01 -1.010207404e+00 -1.022745068e+00 4.04 -7.914364217e-01 -9.989936609e-01 -1.011622084e+00 4.06 -7.826595904e-01 -9.879729919e-01 -1.000870456e+00 4.08 -7.739518682e-01 -9.771297231e-01 -9.904479013e-01 4.10 -7.653014513e-01 -9.664491001e-01 -9.803188557e-01 4.12 -7.566963503e-01 -9.559171602e-01 -9.704530596e-01 4.14 -7.481243752e-01 -9.455206187e-01 -9.608244885e-01 4.16 -7.395731317e-01 -9.352467854e-01 -9.514105377e-01 4.18 -7.310300247e-01 -9.250834945e-01 -9.421913892e-01 4.20 -7.224822698e-01 -9.150190492e-01 -9.331495122e-01 4.22 -7.139169137e-01 -9.050421838e-01 -9.242692732e-01 4.24 -7.053208694e-01 -8.951420330e-01 -9.155366135e-01 4.26 -6.966809597e-01 -8.853081151e-01 -9.069387934e-01 4.28 -6.879839758e-01 -8.755303258e-01 -8.984641773e-01 4.30 -6.792167509e-01 -8.657989369e-01 -8.901020538e-01 4.32 -6.703662468e-01 -8.561046084e-01 -8.818424877e-01 4.34 -6.614196637e-01 -8.464384050e-01 -8.736761865e-01 4.36 -6.523645602e-01 -8.367918210e-01 -8.655943922e-01 4.38 -6.431890005e-01 -8.271568096e-01 -8.575887808e-01 4.40 -6.338817157e-01 -8.175258197e-01 -8.496513791e-01 4.42 -6.244322883e-01 -8.078918335e-01 -8.417744866e-01 4.44 -6.148313547e-01 -7.982484093e-01 -8.339506082e-01 4.46 -6.050708272e-01 -7.885897243e-01 -8.261785742e-01 4.48 -5.951441305e-01 -7.789106154e-01 -8.184360885e-01 4.50 -5.850464500e-01 -7.692066174e-01 -8.107257120e-01 4.52 -5.747749879e-01 -7.594739833e-01 -8.030400364e-01 4.54 -5.643292070e-01 -7.497097008e-01 -7.953715842e-01 4.56 -5.537110262e-01 -7.399115104e-01 -7.877128088e-01 4.58 -5.429249689e-01 -7.300779074e-01 -7.800560892e-01 4.60 -5.319782706e-01 -7.202081310e-01 -7.723937300e-01 4.62 -5.208809075e-01 -7.103021350e-01 -7.647179596e-01 4.64 -5.096455342e-01 -7.003605404e-01 -7.570209361e-01 4.66 -4.982872810e-01 -6.903845648e-01 -7.492947483e-01 4.68 -4.868234063e-01 -6.803759316e-01 -7.415314272e-01 4.70 -4.752727976e-01 -6.703367517e-01 -7.337229549e-01 4.72 -4.636552854e-01 -6.602693855e-01 -7.258612821e-01 4.74 -4.519908910e-01 -6.501762734e-01 -7.179383454e-01 4.76 -4.403000597e-01 -6.400597471e-01 -7.099460951e-01 4.78 -4.286040047e-01 -6.299218102e-01 -7.018765259e-01 4.80 -4.169243613e-01 -6.197638920e-01 -6.937217113e-01 4.82 -4.052827656e-01 -6.095865747e-01 -6.854738518e-01 4.84 -3.937004041e-01 -5.993892863e-01 -6.771253255e-01 4.86 -3.821975501e-01 -5.891699419e-01 -6.686687497e-01 4.88 -3.707930930e-01 -5.789245437e-01 -6.600970528e-01 4.90 -3.595040702e-01 -5.686467520e-01 -6.514035504e-01 4.92 -3.483452054e-01 -5.583274203e-01 -6.425820398e-01 4.94 -3.373284592e-01 -5.479541001e-01 -6.336268981e-01 4.96 -3.264625910e-01 -5.375105393e-01 -6.245331910e-01 4.98 -3.157527297e-01 -5.269762217e-01 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