# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-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 2025-07-01 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 2.306327974e+02 nan nan 0.98 2.104254678e+02 nan nan 1.00 1.921723243e+02 nan nan 1.02 1.754479380e+02 nan nan 1.04 1.603480130e+02 nan nan 1.06 1.464419871e+02 nan nan 1.08 1.337275971e+02 2.006537900e+02 nan 1.10 1.222133494e+02 1.847602693e+02 2.100157444e+02 1.12 1.114988254e+02 1.698797382e+02 1.934484690e+02 1.14 1.018999597e+02 1.561324741e+02 1.785424268e+02 1.16 9.292959208e+01 1.436656927e+02 1.644760698e+02 1.18 8.481662198e+01 1.321161887e+02 1.516154685e+02 1.20 7.721374599e+01 1.218426292e+02 1.398512224e+02 1.22 7.045872551e+01 1.120185379e+02 1.291725890e+02 1.24 6.404742877e+01 1.028778539e+02 1.190521260e+02 1.26 5.838330917e+01 9.461722878e+01 1.097964268e+02 1.28 5.297487280e+01 8.695182089e+01 1.011947926e+02 1.30 4.817349461e+01 7.988269960e+01 9.314799290e+01 1.32 4.363544707e+01 7.323202971e+01 8.585767618e+01 1.34 3.942718759e+01 6.734277645e+01 7.893784932e+01 1.36 3.567310245e+01 6.164681157e+01 7.262067097e+01 1.38 3.220135503e+01 5.640817195e+01 6.686700714e+01 1.40 2.892730883e+01 5.154857148e+01 6.136135982e+01 1.42 2.600727354e+01 4.705919417e+01 5.635053732e+01 1.44 2.337219903e+01 4.315174608e+01 5.162428109e+01 1.46 2.084266195e+01 3.946939262e+01 4.749648134e+01 1.48 1.849896783e+01 3.588196102e+01 4.341657020e+01 1.50 1.634995257e+01 3.256727315e+01 3.974216979e+01 1.52 1.451192936e+01 2.959117169e+01 3.623218763e+01 1.54 1.273317097e+01 2.692032746e+01 3.315023339e+01 1.56 1.106258392e+01 2.427906617e+01 3.012189523e+01 1.58 9.555267539e+00 2.186866879e+01 2.736157780e+01 1.60 8.153823415e+00 1.961240862e+01 2.476035642e+01 1.62 7.018195971e+00 1.752894698e+01 2.235188206e+01 1.64 5.832689499e+00 1.560543265e+01 2.029024186e+01 1.66 4.750507345e+00 1.391347695e+01 1.820944352e+01 1.68 3.763506026e+00 1.235018682e+01 1.628401720e+01 1.70 2.864197193e+00 1.082366224e+01 1.450275072e+01 1.72 2.130181510e+00 9.416489780e+00 1.285528902e+01 1.74 1.445170778e+00 8.203928417e+00 1.133206184e+01 1.76 7.766341793e-01 7.002067956e+00 1.017848967e+01 1.78 1.503083651e-01 5.896051170e+00 8.854270433e+00 1.80 -4.164238636e-01 4.878913181e+00 7.631835040e+00 1.82 -8.983606251e-01 4.056193013e+00 6.593665041e+00 1.84 -1.362311020e+00 3.187964075e+00 5.545643899e+00 1.86 -1.736524737e+00 2.559403320e+00 4.579981016e+00 1.88 -2.044764433e+00 1.814842776e+00 3.690853286e+00 1.90 -2.363488988e+00 1.133375255e+00 2.962817703e+00 1.92 -2.672176610e+00 5.104142091e-01 2.203240022e+00 1.94 -2.946381523e+00 -1.529520317e-02 1.505775675e+00 1.96 -3.188884660e+00 -5.373229369e-01 8.660406204e-01 1.98 -3.402255223e+00 -1.012403907e+00 2.799605982e-01 2.00 -3.588867202e+00 -1.443964717e+00 -1.689153925e-01 2.02 -3.750914524e+00 -1.835187473e+00 -6.659215742e-01 2.04 -3.890424943e+00 -2.189028054e+00 -1.119279054e+00 2.06 -3.948402210e+00 -2.508232911e+00 -1.532084592e+00 2.08 -4.030622031e+00 -2.795354511e+00 -1.907220376e+00 2.10 -4.104500407e+00 -2.977234354e+00 -2.158481633e+00 2.12 -4.166979564e+00 -3.171810609e+00 -2.430311667e+00 2.14 -4.226502160e+00 -3.384883209e+00 -2.717508577e+00 2.16 -4.272237648e+00 -3.573742923e+00 -2.975961314e+00 2.18 -4.305400822e+00 -3.740215913e+00 -3.207747686e+00 2.20 -4.327114375e+00 -3.886000737e+00 -3.414803594e+00 2.22 -4.338415745e+00 -4.012677406e+00 -3.598932980e+00 2.24 -4.297244807e+00 -4.035678489e+00 -3.740307714e+00 2.26 -4.293683095e+00 -4.134763622e+00 -3.885092803e+00 2.28 -4.282139738e+00 -4.218387771e+00 -4.011544560e+00 2.30 -4.263386540e+00 -4.287768056e+00 -4.121032953e+00 2.32 -4.197787928e+00 -4.344036740e+00 -4.214835102e+00 2.34 -4.099497545e+00 -4.388247104e+00 -4.294141601e+00 2.36 -4.070742289e+00 -4.421378892e+00 -4.360062398e+00 2.38 -4.036782602e+00 -4.444343378e+00 -4.413632250e+00 2.40 -3.998171084e+00 -4.457988056e+00 -4.287220899e+00 2.42 -3.955417242e+00 -4.463101012e+00 -4.330531157e+00 2.44 -3.908990612e+00 -4.370268403e+00 -4.363395375e+00 2.46 -3.859323669e+00 -4.366528164e+00 -4.386649106e+00 2.48 -3.806814513e+00 -4.355896834e+00 -4.401071082e+00 2.50 -3.751829368e+00 -4.338989662e+00 -4.407386986e+00 2.52 -3.694704902e+00 -4.231173137e+00 -4.406272958e+00 2.54 -3.635750377e+00 -4.208981032e+00 -4.398358870e+00 2.56 -3.575249643e+00 -4.181743350e+00 -4.384231376e+00 2.58 -3.513462998e+00 -4.149941690e+00 -4.335132699e+00 2.60 -3.450628902e+00 -4.114023173e+00 -4.312052243e+00 2.62 -3.386965583e+00 -4.074402754e+00 -4.284167302e+00 2.64 -3.322672515e+00 -4.031465378e+00 -4.251925791e+00 2.66 -3.257931802e+00 -3.985567986e+00 -4.215744383e+00 2.68 -3.192909459e+00 -3.937041393e+00 -4.176010547e+00 2.70 -3.106985371e+00 -3.886192039e+00 -4.133084463e+00 2.72 -3.043118949e+00 -3.833303624e+00 -4.087300802e+00 2.74 -2.979305331e+00 -3.756898519e+00 -4.038970392e+00 2.76 -2.870375807e+00 -3.702012027e+00 -3.988381781e+00 2.78 -2.809710554e+00 -3.645736958e+00 -3.935802685e+00 2.80 -2.749257392e+00 -3.588285040e+00 -3.881481359e+00 2.82 -2.667585682e+00 -3.529851668e+00 -3.736186460e+00 2.84 -2.609100837e+00 -3.470617006e+00 -3.684289403e+00 2.86 -2.551013798e+00 -3.410747014e+00 -3.630985223e+00 2.88 -2.493398523e+00 -3.350394408e+00 -3.576473909e+00 2.90 -2.436321286e+00 -3.289699561e+00 -3.520940576e+00 2.92 -2.379841257e+00 -3.228791339e+00 -3.464556438e+00 2.94 -2.324011045e+00 -3.167787891e+00 -3.407479713e+00 2.96 -2.268877201e+00 -3.106797376e+00 -3.349856472e+00 2.98 -2.214480688e+00 -3.045918655e+00 -3.291821438e+00 3.00 -2.160857316e+00 -2.985241928e+00 -3.233498730e+00 3.02 -2.108038147e+00 -2.924849337e+00 -3.175002561e+00 3.04 -2.056049872e+00 -2.864815520e+00 -3.116437895e+00 3.06 -2.004915163e+00 -2.805208144e+00 -3.057901060e+00 3.08 -1.954653000e+00 -2.746088386e+00 -2.999480322e+00 3.10 -1.905278969e+00 -2.687511395e+00 -2.941256423e+00 3.12 -1.856805546e+00 -2.629526721e+00 -2.883303090e+00 3.14 -1.809242361e+00 -2.572178712e+00 -2.825687500e+00 3.16 -1.740627769e+00 -2.486255429e+00 -2.724533396e+00 3.18 -1.696056942e+00 -2.431830924e+00 -2.670077228e+00 3.20 -1.652350187e+00 -2.378068188e+00 -2.616004762e+00 3.22 -1.609511129e+00 -2.324998440e+00 -2.562367416e+00 3.24 -1.567541430e+00 -2.272649121e+00 -2.509211691e+00 3.26 -1.526440974e+00 -2.221044176e+00 -2.456579516e+00 3.28 -1.486208022e+00 -2.170204312e+00 -2.404508557e+00 3.30 -1.446839365e+00 -2.032276696e+00 -2.353032512e+00 3.32 -1.408330466e+00 -1.987440263e+00 -2.302181389e+00 3.34 -1.370675585e+00 -1.943192188e+00 -2.251981768e+00 3.36 -1.333867899e+00 -1.899553522e+00 -2.202457035e+00 3.38 -1.255866643e+00 -1.856542594e+00 -2.153627621e+00 3.40 -1.222807861e+00 -1.814175216e+00 -2.105511205e+00 3.42 -1.190467972e+00 -1.772464864e+00 -2.058122920e+00 3.44 -1.158841866e+00 -1.731422852e+00 -2.011475538e+00 3.46 -1.127923588e+00 -1.691058494e+00 -1.965579646e+00 3.48 -1.097706425e+00 -1.651379259e+00 -1.920443807e+00 3.50 -1.045103034e+00 -1.612390907e+00 -1.876074718e+00 3.52 -1.017355478e+00 -1.574097629e+00 -1.832477350e+00 3.54 -9.902338344e-01 -1.536502165e+00 -1.789655085e+00 3.56 -9.637314839e-01 -1.499605927e+00 -1.747609838e+00 3.58 -9.378412849e-01 -1.463409100e+00 -1.706342181e+00 3.60 -9.125556291e-01 -1.427910749e+00 -1.665851445e+00 3.62 -8.878664973e-01 -1.393108913e+00 -1.626135830e+00 3.64 -8.554192453e-01 -1.359000692e+00 -1.497604742e+00 3.66 -8.322730899e-01 -1.325582330e+00 -1.463518369e+00 3.68 -8.096806148e-01 -1.292849293e+00 -1.430010007e+00 3.70 -7.876333697e-01 -1.260796340e+00 -1.397082596e+00 3.72 -7.661226775e-01 -1.229417592e+00 -1.364737990e+00 3.74 -7.451396697e-01 -1.198706592e+00 -1.332977041e+00 3.76 -7.246753189e-01 -1.168656363e+00 -1.301799677e+00 3.78 -7.047204687e-01 -1.139259466e+00 -1.271204981e+00 3.80 -6.852658611e-01 -1.110508046e+00 -1.241191253e+00 3.82 -6.663021619e-01 -1.082393880e+00 -1.211756079e+00 3.84 -6.478199842e-01 -1.054908422e+00 -1.182896390e+00 3.86 -6.298099090e-01 -9.831085910e-01 -1.154608519e+00 3.88 -6.122625053e-01 -9.587889550e-01 -1.126888257e+00 3.90 -5.951683477e-01 -9.349878338e-01 -1.099730896e+00 3.92 -5.785180325e-01 -9.116992929e-01 -1.073131282e+00 3.94 -5.623021924e-01 -8.889171010e-01 -1.047083855e+00 3.96 -5.465115102e-01 -8.666347635e-01 -1.021582690e+00 3.98 -5.311367309e-01 -8.448455537e-01 -9.966215347e-01 4.00 -5.161686723e-01 -8.235425416e-01 -9.721938452e-01 4.02 -5.015982353e-01 -8.027186214e-01 -9.482928188e-01 4.04 -4.874164126e-01 -7.823665360e-01 -9.249114241e-01 4.06 -4.736142966e-01 -7.624789008e-01 -9.020424302e-01 4.08 -4.601830865e-01 -7.430482248e-01 -8.796784326e-01 4.10 -4.471140946e-01 -7.240669310e-01 -8.578118781e-01 4.12 -4.343987516e-01 -7.055273745e-01 -8.364350879e-01 4.14 -4.220286117e-01 -6.874218601e-01 -8.155402787e-01 4.16 -4.099953567e-01 -6.697426574e-01 -7.951195822e-01 4.18 -3.982907995e-01 -6.524820161e-01 -7.751650638e-01 4.20 -3.869068869e-01 -6.356321789e-01 -7.556687394e-01 4.22 -3.758357028e-01 -6.191853939e-01 -7.366225908e-01 4.24 -3.650694696e-01 -6.031339263e-01 -7.180185802e-01 4.26 -3.546005501e-01 -5.874700682e-01 -6.998486639e-01 4.28 -3.444214488e-01 -5.721861485e-01 -6.821048041e-01 4.30 -3.345248128e-01 -5.572745415e-01 -6.647789805e-01 4.32 -3.249034323e-01 -5.427276746e-01 -6.478632002e-01 4.34 -3.155502407e-01 -5.285380360e-01 -6.313495080e-01 4.36 -3.064583150e-01 -5.146981805e-01 -6.152299941e-01 4.38 -2.976208750e-01 -5.012007357e-01 -5.994968029e-01 4.40 -2.890312832e-01 -4.880384075e-01 -5.841421394e-01 4.42 -2.806830440e-01 -4.752039846e-01 -5.691582766e-01 4.44 -2.725698026e-01 -4.626903427e-01 -5.545375607e-01 4.46 -2.646853442e-01 -4.504904484e-01 -5.179272557e-01 4.48 -2.570235926e-01 -4.385973623e-01 -5.048460368e-01 4.50 -2.495786090e-01 -4.270042423e-01 -4.920743568e-01 4.52 -2.423445902e-01 -4.157043456e-01 -4.796060545e-01 4.54 -2.353158674e-01 -4.046910312e-01 -4.674350223e-01 4.56 -2.284869043e-01 -3.939577618e-01 -4.555552102e-01 4.58 -2.218522951e-01 -3.834981050e-01 -4.439606301e-01 4.60 -2.154067632e-01 -3.733057349e-01 -4.326453593e-01 4.62 -2.091451588e-01 -3.633744328e-01 -4.216035436e-01 4.64 -2.030624569e-01 -3.536980880e-01 -4.108294006e-01 4.66 -1.971537556e-01 -3.442706985e-01 -4.003172219e-01 4.68 -1.914142740e-01 -3.350863711e-01 -3.900613754e-01 4.70 -1.858393497e-01 -3.261393217e-01 -3.800563073e-01 4.72 -1.804244371e-01 -3.174238750e-01 -3.702965441e-01 4.74 -1.751651050e-01 -3.089344644e-01 -3.607766936e-01 4.76 -1.700570346e-01 -3.006656320e-01 -3.514914465e-01 4.78 -1.650960172e-01 -2.926120273e-01 -3.424355772e-01 4.80 -1.602779520e-01 -2.847684072e-01 -3.336039446e-01 4.82 -1.555988441e-01 -2.771296354e-01 -3.249914932e-01 4.84 -1.510548023e-01 -2.696906808e-01 -3.165932528e-01 4.86 -1.466420365e-01 -2.624466173e-01 -3.084043395e-01 4.88 -1.423568562e-01 -2.553926225e-01 -3.004199556e-01 4.90 -1.381956678e-01 -2.485239766e-01 -2.926353894e-01 4.92 -1.341549730e-01 -2.418360613e-01 -2.850460156e-01 4.94 -1.302313662e-01 -2.353243585e-01 -2.776472947e-01 4.96 -1.264215325e-01 -2.289844491e-01 -2.704347728e-01 4.98 -1.227222458e-01 -2.228120119e-01 -2.634040815e-01 5.00 -1.191303669e-01 -2.168028217e-01 -2.565509367e-01 5.02 -1.156428408e-01 -2.109527483e-01 -2.498711387e-01 5.04 -1.122566957e-01 -2.052577551e-01 -2.433605714e-01 5.06 -1.089690400e-01 -1.997138976e-01 -2.370152012e-01 5.08 -1.057770612e-01 -1.943173215e-01 -2.308310767e-01 5.10 -1.026780234e-01 -1.890642621e-01 -2.248043276e-01 5.12 -9.966926598e-02 -1.839510419e-01 -2.189311639e-01 5.14 -9.674820110e-02 -1.789740695e-01 -2.132078751e-01 5.16 -7.278966345e-02 -1.741298382e-01 -2.076308289e-01 5.18 -7.072630907e-02 -1.694149240e-01 -2.021964705e-01 5.20 -6.872086597e-02 -1.648259848e-01 -1.969013215e-01 5.22 -6.677174538e-02 -1.603597579e-01 -1.917419788e-01 5.24 -6.487739988e-02 -1.560130595e-01 -1.867151134e-01 5.26 -6.303632253e-02 -1.517827824e-01 -1.818174696e-01 5.28 -6.124704586e-02 -1.476658948e-01 -1.770458635e-01 5.30 -5.950814097e-02 -1.436594388e-01 -1.723971824e-01 5.32 -5.781821668e-02 -1.397605289e-01 -1.678683831e-01 5.34 -5.617591856e-02 -1.359663503e-01 -1.634564909e-01 5.36 -5.457992813e-02 -1.322741579e-01 -1.591585987e-01 5.38 -5.302896195e-02 -1.286812742e-01 -1.549718656e-01 5.40 -5.152177080e-02 -1.251850884e-01 -1.508935158e-01 5.42 -5.005713882e-02 -1.217830548e-01 -1.469208372e-01 5.44 -4.863388274e-02 -1.184726912e-01 -1.430511808e-01 5.46 -4.725085106e-02 -9.285463929e-02 -1.392819589e-01 5.48 -4.590692323e-02 -9.040709629e-02 -1.356106444e-01 5.50 -4.460100894e-02 -8.802317961e-02 -1.320347694e-01 5.52 -4.333204733e-02 -8.570128274e-02 -1.285519241e-01 5.54 -4.209900626e-02 -8.343983713e-02 -1.251597557e-01 5.56 -4.090088158e-02 -8.123731149e-02 -1.218559672e-01 5.58 -3.973669643e-02 -7.909221101e-02 -1.186383165e-01 5.60 -3.860550054e-02 -7.700307662e-02 -1.155046149e-01 5.62 -3.750636955e-02 -7.496848426e-02 -1.124527264e-01 5.64 -1.323414997e-02 -7.298704415e-02 -1.094805662e-01 5.66 -1.288239676e-02 -7.105740009e-02 -1.065861001e-01 5.68 -1.253989724e-02 -6.917822873e-02 -1.037673431e-01 5.70 -1.220641309e-02 -6.734823887e-02 -1.010223583e-01 5.72 -1.188171184e-02 -6.556617079e-02 -9.834925619e-02 5.74 -1.156556678e-02 -6.383079557e-02 -9.574619335e-02 5.76 -1.125775677e-02 -6.214091437e-02 -9.321137156e-02 5.78 -1.095806617e-02 -6.049535784e-02 -9.074303677e-02 5.80 -1.066628471e-02 -5.889298542e-02 -8.833947814e-02 5.82 -1.038220732e-02 -5.733268472e-02 -8.599902708e-02 5.84 -1.010563409e-02 -5.581337086e-02 -8.372005629e-02 5.86 -9.836370075e-03 -5.433398591e-02 -8.150097886e-02 5.88 -9.574225236e-03 -5.289349821e-02 -7.934024732e-02 5.90 -9.319014302e-03 -5.149090183e-02 -7.723635274e-02 5.92 -9.070556664e-03 -5.012521593e-02 -7.518782389e-02 5.94 -8.828676266e-03 -4.879548423e-02 -7.319322634e-02 5.96 -8.593201502e-03 -4.750077440e-02 -7.125116160e-02 5.98 -8.363965107e-03 -4.624017755e-02 -6.936026633e-02 6.00 -8.140804055e-03 -4.501280763e-02 -6.751921145e-02