# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Sun-Y-Mendelev-M-I-Zhang-F-et-al--Fe-Ni # implementation = 2024--Sun-Y--Fe-Ni--LAMMPS--ipr1 # composition = Ni # 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 2024-03-01 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 3.557032221e+03 nan 0.78 nan nan nan nan nan nan nan nan 3.203308312e+03 nan 0.80 nan nan nan nan nan nan nan nan 2.887644029e+03 nan 0.82 nan nan nan nan nan 2.198436598e+03 nan nan 2.605387505e+03 nan 0.84 nan nan nan nan nan 1.979663672e+03 nan nan 2.352016586e+03 nan 0.86 nan nan nan nan nan 1.783674931e+03 nan nan 2.124136830e+03 nan 0.88 nan nan nan nan nan 1.607549051e+03 nan nan 1.918811319e+03 nan 0.90 nan nan nan nan nan 1.448873769e+03 nan nan 1.733483951e+03 nan 0.92 nan nan nan 3.759092373e+03 3.759429921e+03 1.305608890e+03 nan nan 1.565925762e+03 2.379262356e+03 0.94 nan 2.153963863e+03 nan 3.454013870e+03 3.454344659e+03 1.176385813e+03 2.204184633e+03 nan 1.414356248e+03 2.168933289e+03 0.96 nan 1.964401105e+03 nan 3.176925039e+03 3.177226182e+03 1.059705727e+03 2.010209892e+03 nan 1.277135339e+03 1.978059464e+03 0.98 nan 1.790936483e+03 nan 2.924634623e+03 2.924896964e+03 9.539007311e+02 1.833513296e+03 nan 1.152606626e+03 1.804479537e+03 1.00 nan 1.632011394e+03 nan 2.694405179e+03 2.694625655e+03 8.575779392e+02 1.672302807e+03 nan 1.039325132e+03 1.646335507e+03 1.02 nan 1.486141930e+03 nan 2.483053387e+03 2.483222753e+03 7.693625750e+02 1.524732334e+03 nan 9.359451016e+02 1.501638571e+03 1.04 nan 1.352033537e+03 2.023601213e+03 2.287969470e+03 2.288071854e+03 6.881644541e+02 1.389348532e+03 2.102411445e+03 8.413963105e+02 1.368739406e+03 1.06 2.107600893e+03 1.228658373e+03 1.859121490e+03 2.107704273e+03 2.107728073e+03 6.133109791e+02 1.265260153e+03 1.933230751e+03 7.547263460e+02 1.246560235e+03 1.08 1.941160841e+03 1.115106111e+03 1.707304289e+03 1.941131303e+03 1.941081710e+03 5.442050965e+02 1.151364053e+03 1.777027166e+03 6.751104443e+02 1.134375306e+03 1.10 1.787361310e+03 1.010549227e+03 1.567038724e+03 1.787211666e+03 1.787111446e+03 4.803125767e+02 1.046654995e+03 1.632730990e+03 6.018368453e+02 1.031449472e+03 1.12 1.645042078e+03 9.142395195e+02 1.437326514e+03 1.644836716e+03 1.644717335e+03 4.211548360e+02 9.502351824e+02 1.499285552e+03 5.342908058e+02 9.367945779e+02 1.14 1.513204529e+03 8.254910402e+02 1.317284908e+03 1.513023494e+03 1.512918910e+03 3.663095381e+02 8.613064778e+02 1.375771503e+03 4.719340318e+02 8.495406170e+02 1.16 1.390989832e+03 7.436761441e+02 1.206117353e+03 1.390895475e+03 1.390834323e+03 3.154104118e+02 7.791567620e+02 1.261383321e+03 4.142917224e+02 7.689495946e+02 1.18 1.277638422e+03 6.682140953e+02 1.103095521e+03 1.277657190e+03 1.277652700e+03 2.681379308e+02 7.031571603e+02 1.155399904e+03 3.609485968e+02 6.944104601e+02 1.20 1.172468450e+03 5.985743093e+02 1.007578535e+03 1.172581272e+03 1.172630272e+03 2.242196561e+02 6.327631621e+02 1.057163253e+03 3.115365444e+02 6.253877043e+02 1.22 1.074853741e+03 5.342642117e+02 9.189945112e+02 1.075012119e+03 1.075099608e+03 1.841776914e+02 5.675846078e+02 9.660631042e+02 2.657256608e+02 5.613924797e+02 1.24 9.842060518e+02 4.748925040e+02 8.368220943e+02 9.843636817e+02 9.844687452e+02 1.517579343e+02 5.072470208e+02 8.815344129e+02 2.232746953e+02 5.019793724e+02 1.26 8.999850538e+02 4.201471032e+02 7.605846562e+02 9.001074582e+02 9.002074467e+02 1.259100208e+02 4.513251198e+02 8.030603500e+02 1.839340509e+02 4.467470149e+02 1.28 8.216900533e+02 3.695769991e+02 6.898339385e+02 8.217575668e+02 8.218335419e+02 1.051408656e+02 3.994314973e+02 7.301639466e+02 1.486662893e+02 3.953462937e+02 1.30 7.488572218e+02 3.227843537e+02 6.241350965e+02 7.488646054e+02 7.489058479e+02 8.831051562e+01 3.512211690e+02 6.623981497e+02 1.205496010e+02 3.474711755e+02 1.32 6.810583754e+02 2.794187102e+02 5.631882443e+02 6.810123532e+02 6.810154660e+02 7.454756481e+01 3.063863978e+02 5.993491121e+02 9.824328569e+01 3.028434561e+02 1.34 6.178969593e+02 2.391681862e+02 5.066690395e+02 6.178133971e+02 6.177809576e+02 6.319033411e+01 2.646493266e+02 5.406392441e+02 8.044760423e+01 2.612034782e+02 1.36 5.590124936e+02 2.018349728e+02 4.541921964e+02 5.589106506e+02 5.588506882e+02 5.373944641e+01 2.257575045e+02 4.859280423e+02 6.616991384e+01 2.223147930e+02 1.38 5.040785735e+02 1.672378622e+02 4.054052772e+02 5.039775013e+02 5.039030170e+02 4.581396278e+01 1.894778502e+02 4.349104680e+02 5.464698036e+01 1.859670467e+02 1.40 4.527956037e+02 1.353144405e+02 3.599856132e+02 4.527148252e+02 4.526419565e+02 3.911982906e+01 1.555940542e+02 3.873100326e+02 4.528550091e+01 1.521430674e+02 1.42 4.048912433e+02 1.089377857e+02 3.176399049e+02 4.048488894e+02 4.047927382e+02 3.342385021e+01 1.259860007e+02 3.428771839e+02 3.762435972e+01 1.237377877e+02 1.44 3.601226009e+02 8.797471654e+01 2.781071643e+02 3.601286481e+02 3.600988859e+02 2.854311466e+01 1.022211879e+02 3.013862654e+02 3.130622085e+01 1.008311088e+02 1.46 3.182709909e+02 7.126218997e+01 2.411540749e+02 3.183218233e+02 3.183207823e+02 2.433534784e+01 8.309705146e+01 2.626345830e+02 2.605412534e+01 8.230736590e+01 1.48 2.791330269e+02 5.788773865e+01 2.065670232e+02 2.792147021e+02 2.792390905e+02 2.068762172e+01 6.765993399e+01 2.265640159e+02 2.165394744e+01 6.728493595e+01 1.50 2.425176728e+02 4.713905018e+01 1.741549996e+02 2.426121257e+02 2.426561799e+02 1.751012360e+01 5.516357737e+01 1.929970785e+02 1.794169712e+01 5.506103501e+01 1.52 2.083975619e+02 3.848149683e+01 1.438495661e+02 2.084862210e+02 2.085434419e+02 1.478084466e+01 4.506809414e+01 1.617552371e+02 1.482692534e+01 4.515062263e+01 1.54 1.766974918e+02 3.149356911e+01 1.173469537e+02 1.767641747e+02 1.768273724e+02 1.247201300e+01 3.693409211e+01 1.328319675e+02 1.223008528e+01 3.715282029e+01 1.56 1.471808409e+02 2.582220407e+01 9.596334998e+01 1.472149874e+02 1.472768524e+02 1.051195954e+01 3.036083778e+01 1.086128820e+02 1.005120352e+01 3.067484543e+01 1.58 1.207404641e+02 2.118903224e+01 7.868938539e+01 1.207426697e+02 1.207974698e+02 8.843248367e+00 2.502830183e+01 8.906792092e+01 8.211763765e+00 2.540600704e+01 1.60 9.924578379e+01 1.737727667e+01 6.471122274e+01 9.922559521e+01 9.926922630e+01 7.419038783e+00 2.068112800e+01 7.325861025e+01 6.650115155e+00 2.110215064e+01 1.62 8.180571410e+01 1.421954673e+01 5.337311906e+01 8.177676377e+01 8.180657232e+01 6.199997382e+00 1.711565261e+01 6.043789903e+01 5.316900323e+00 1.756908428e+01 1.64 6.762150309e+01 1.158659417e+01 4.414716087e+01 6.759586331e+01 6.761053744e+01 5.152794155e+00 1.416887388e+01 5.001148909e+01 4.171780190e+00 1.464975260e+01 1.66 5.605876078e+01 9.375415762e+00 3.660752737e+01 5.604203469e+01 5.604138256e+01 4.247080977e+00 1.171193449e+01 4.150570169e+01 3.182468181e+00 1.221982767e+01 1.68 4.660895417e+01 7.502249826e+00 3.041172892e+01 4.660098617e+01 4.658602250e+01 3.454262546e+00 9.644367256e+00 3.454126445e+01 2.323569088e+00 1.018032780e+01 1.70 3.886001339e+01 5.900742081e+00 2.528904539e+01 3.885894420e+01 3.883207001e+01 2.750168956e+00 7.888623509e+00 2.881328972e+01 1.574046493e+00 8.451416051e+00 1.72 3.248154875e+01 4.519968768e+00 2.102939352e+01 3.248464380e+01 3.244927000e+01 2.116460877e+00 6.385846295e+00 2.407849334e+01 9.163578799e-01 6.970373708e+00 1.74 2.720889210e+01 3.321465364e+00 1.747114182e+01 2.721277436e+01 2.717303324e+01 1.541009724e+00 5.091578157e+00 2.014215672e+01 3.367998390e-01 5.688496893e+00 1.76 2.282825893e+01 2.276148532e+00 1.448696743e+01 2.283037256e+01 2.279094147e+01 1.016432381e+00 3.970139883e+00 1.684856365e+01 -1.753760003e-01 4.568071474e+00 1.78 1.916750920e+01 1.361781232e+00 1.197299610e+01 1.916589745e+01 1.913100199e+01 5.370815482e-01 2.991639451e+00 1.407292321e+01 -6.297410936e-01 3.580784521e+00 1.80 1.608870858e+01 5.597142090e-01 9.844413983e+00 1.608125846e+01 1.605366589e+01 9.842284017e-02 2.131934897e+00 1.171420122e+01 -1.035052642e+00 2.705953274e+00 1.82 1.348058566e+01 -1.470457742e-01 8.033198743e+00 1.346555904e+01 1.344634964e+01 -3.022672599e-01 1.371690632e+00 9.690963428e+00 -1.398178273e+00 1.927748742e+00 1.84 1.125227981e+01 -7.733874725e-01 6.484028259e+00 1.122969385e+01 1.121858881e+01 -6.667178157e-01 6.954303409e-01 7.938308655e+00 -1.724052808e+00 1.232630412e+00 1.86 9.330461461e+00 -1.331259698e+00 5.150556761e+00 9.302704981e+00 9.298620499e+00 -9.970482890e-01 9.072572809e-02 6.405930353e+00 -2.016604073e+00 6.097395156e-01 1.88 7.657265694e+00 -1.829497247e+00 3.993565289e+00 7.628532185e+00 7.630231426e+00 -1.296043127e+00 -4.527023613e-01 5.055962646e+00 -2.279479928e+00 5.077340004e-02 1.90 6.187738782e+00 -2.273975628e+00 2.980182955e+00 6.162861556e+00 6.169525551e+00 -1.566675743e+00 -9.436955097e-01 3.860088338e+00 -2.515859610e+00 -4.511666216e-01 1.92 4.886687776e+00 -2.668034835e+00 2.083351656e+00 4.870836532e+00 4.882363564e+00 -1.811958587e+00 -1.389385085e+00 2.796809447e+00 -2.728322590e+00 -9.031706734e-01 1.94 3.727315126e+00 -3.013334239e+00 1.281646882e+00 3.725171015e+00 3.741891560e+00 -2.034771184e+00 -1.794929946e+00 1.850011374e+00 -2.918992322e+00 -1.312181466e+00 1.96 2.690756634e+00 -3.311338061e+00 5.588996360e-01 2.704642290e+00 2.726420337e+00 -2.237702166e+00 -2.164515217e+00 1.007700444e+00 -3.089325586e+00 -1.683626006e+00 1.98 1.764426374e+00 -3.564649464e+00 -9.623478069e-02 1.793331619e+00 1.819184100e+00 -2.422834548e+00 -2.501592867e+00 2.605338527e-01 -3.240179027e+00 -2.021122957e+00 2.00 9.396960820e-01 -3.776822625e+00 -6.914363069e-01 9.794905591e-01 1.007676073e+00 -2.591796695e+00 -2.808090339e+00 -3.993827726e-01 -3.372071176e+00 -2.326837613e+00 2.02 2.087212445e-01 -3.952319391e+00 -1.232772684e+00 2.536376353e-01 2.820759136e-01 -2.746078953e+00 -3.084617053e+00 -9.802380159e-01 -3.485581378e+00 -2.602996088e+00 2.04 -4.368546801e-01 -4.096413410e+00 -1.725274568e+00 -3.924989977e-01 -3.657895333e-01 -2.886823787e+00 -3.331170944e+00 -1.490647315e+00 -3.581667793e+00 -2.852374541e+00 2.06 -1.005092957e+00 -4.214619196e+00 -2.172059262e+00 -9.660258237e-01 -9.428091235e-01 -3.014165558e+00 -3.547523870e+00 -1.939063097e+00 -3.661498049e+00 -3.077148729e+00 2.08 -1.503939156e+00 -4.312143961e+00 -2.574648478e+00 -1.473512274e+00 -1.455278070e+00 -3.127597722e+00 -3.733743743e+00 -2.333647177e+00 -3.726418418e+00 -3.278668317e+00 2.10 -1.941376768e+00 -4.393439644e+00 -2.933610691e+00 -1.921719333e+00 -1.909615370e+00 -3.226337714e+00 -3.890411459e+00 -2.681985923e+00 -3.777912235e+00 -3.457531310e+00 2.12 -2.325433905e+00 -4.461995984e+00 -3.249516595e+00 -2.317619373e+00 -2.312363769e+00 -3.309793562e+00 -4.018935704e+00 -2.990747268e+00 -3.817288786e+00 -3.613981624e+00 2.14 -2.664094704e+00 -4.520534688e+00 -3.524171538e+00 -2.667943409e+00 -2.669690309e+00 -3.378352716e+00 -4.121643202e+00 -3.265454166e+00 -3.845578881e+00 -3.748563226e+00 2.16 -2.964857543e+00 -4.570873315e+00 -3.760812463e+00 -2.978873028e+00 -2.987149460e+00 -3.433246014e+00 -4.201278830e+00 -3.510295994e+00 -3.863868963e+00 -3.862325064e+00 2.18 -3.234084762e+00 -4.613542083e+00 -3.963129859e+00 -3.255685679e+00 -3.269499208e+00 -3.475738551e+00 -4.260774711e+00 -3.728131292e+00 -3.873278087e+00 -3.956568853e+00 2.20 -3.476639718e+00 -4.648174279e+00 -4.134959256e+00 -3.502593235e+00 -3.520592811e+00 -3.507055656e+00 -4.303168210e+00 -3.920954071e+00 -3.874780977e+00 -4.032935554e+00 2.22 -3.695524291e+00 -4.674176000e+00 -4.280161525e+00 -3.722603024e+00 -3.743294285e+00 -3.528407330e+00 -4.331582813e+00 -4.090205397e+00 -3.869117584e+00 -4.093289993e+00 2.24 -3.891861917e+00 -4.691060050e+00 -4.402380998e+00 -3.917619521e+00 -3.939574291e+00 -3.541010239e+00 -4.349036156e+00 -4.237034188e+00 -3.856816968e+00 -4.139591940e+00 2.26 -4.065565402e+00 -4.698763672e+00 -4.504671410e+00 -4.088731429e+00 -4.110707082e+00 -3.546036955e+00 -4.358087904e+00 -4.363003600e+00 -3.838424395e+00 -4.173799547e+00 2.28 -4.216876828e+00 -4.697157330e+00 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