# 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 = Co3Fe # 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 2.502813879e+02 nan nan 0.98 2.283953713e+02 nan nan 1.00 2.086116809e+02 nan nan 1.02 1.904977928e+02 nan nan 1.04 1.741270281e+02 nan nan 1.06 1.590661495e+02 nan nan 1.08 1.453014843e+02 2.177933283e+02 nan 1.10 1.328191891e+02 2.005506953e+02 2.279207886e+02 1.12 1.212287026e+02 1.844430477e+02 2.099917528e+02 1.14 1.108205721e+02 1.695717676e+02 1.938210863e+02 1.16 1.011154725e+02 1.560653798e+02 1.786040911e+02 1.18 9.232684203e+01 1.435628221e+02 1.646803922e+02 1.20 8.411062509e+01 1.323983975e+02 1.519332335e+02 1.22 7.678538695e+01 1.217673203e+02 1.403413793e+02 1.24 6.985872337e+01 1.118862369e+02 1.293882697e+02 1.26 6.371453134e+01 1.029367077e+02 1.193603855e+02 1.28 5.787184985e+01 9.463730814e+01 1.100472385e+02 1.30 5.266453013e+01 8.698303419e+01 1.013466176e+02 1.32 4.775995190e+01 7.979673917e+01 9.344608111e+01 1.34 4.321592196e+01 7.340306248e+01 8.596840823e+01 1.36 3.914762577e+01 6.725068300e+01 7.913183632e+01 1.38 3.538919175e+01 6.158933411e+01 7.289372303e+01 1.40 3.185477289e+01 5.633961885e+01 6.694612128e+01 1.42 2.869205807e+01 5.148938727e+01 6.152266567e+01 1.44 2.583245041e+01 4.723867671e+01 5.641719360e+01 1.46 2.310076910e+01 4.324156204e+01 5.192825606e+01 1.48 2.057106324e+01 3.936943538e+01 4.752319568e+01 1.50 1.825087165e+01 3.579118762e+01 4.354335029e+01 1.52 1.625087033e+01 3.256773919e+01 3.975397261e+01 1.54 1.432538931e+01 2.966468885e+01 3.640631682e+01 1.56 1.252189216e+01 2.681490699e+01 3.313797925e+01 1.58 1.089146157e+01 2.421029687e+01 3.015331728e+01 1.60 9.377551172e+00 2.177523879e+01 2.734552268e+01 1.62 8.132608849e+00 1.952616119e+01 2.474531630e+01 1.64 6.852363265e+00 1.744923777e+01 2.249922857e+01 1.66 5.683049256e+00 1.561195851e+01 2.025371525e+01 1.68 4.615925844e+00 1.391406942e+01 1.817539223e+01 1.70 3.642954954e+00 1.226608661e+01 1.625219869e+01 1.72 2.836887864e+00 1.074642653e+01 1.447299453e+01 1.74 2.088231137e+00 9.426545131e+00 1.282748289e+01 1.76 1.361885673e+00 8.128448360e+00 1.155063460e+01 1.78 6.835208986e-01 6.933332468e+00 1.012175840e+01 1.80 6.901959451e-02 5.833714764e+00 8.802208572e+00 1.82 -4.578533778e-01 4.930411472e+00 7.670625777e+00 1.84 -9.619372708e-01 3.991820916e+00 6.539233528e+00 1.86 -1.375145032e+00 3.291695868e+00 5.496240055e+00 1.88 -1.718744200e+00 2.487355988e+00 4.535396211e+00 1.90 -2.068106384e+00 1.750617947e+00 3.737458493e+00 1.92 -2.404835734e+00 1.076568594e+00 2.916452575e+00 1.94 -2.704691934e+00 5.020478394e-01 2.162058472e+00 1.96 -2.970645470e+00 -6.348851668e-02 1.469575527e+00 1.98 -3.205440450e+00 -5.787460821e-01 8.346352357e-01 2.00 -3.411612262e+00 -1.047393166e+00 3.372713641e-01 2.02 -3.591503783e+00 -1.472836213e+00 -2.014215899e-01 2.04 -3.747280232e+00 -1.858239359e+00 -6.933532973e-01 2.06 -3.823234393e+00 -2.206542416e+00 -1.141840136e+00 2.08 -3.919326940e+00 -2.520477405e+00 -1.549968584e+00 2.10 -4.006009684e+00 -2.729909838e+00 -1.835056777e+00 2.12 -4.079953146e+00 -2.948645078e+00 -2.136545892e+00 2.14 -4.149300761e+00 -3.182380653e+00 -2.449476859e+00 2.16 -4.203926306e+00 -3.390230423e+00 -2.731673981e+00 2.18 -4.245122372e+00 -3.574144281e+00 -2.985357148e+00 2.20 -4.274083379e+00 -3.735935695e+00 -3.212594481e+00 2.22 -4.291912893e+00 -3.877291398e+00 -3.415312968e+00 2.24 -4.258214649e+00 -3.916948894e+00 -3.574600454e+00 2.26 -4.259831864e+00 -4.028170903e+00 -3.735081291e+00 2.28 -4.252921281e+00 -4.122889597e+00 -3.875958928e+00 2.30 -4.238302246e+00 -4.202401219e+00 -3.998695605e+00 2.32 -4.178482116e+00 -4.267911482e+00 -4.104654319e+00 2.34 -4.085135907e+00 -4.320541847e+00 -4.195105590e+00 2.36 -4.059068492e+00 -4.361335343e+00 -4.271233749e+00 2.38 -4.027462424e+00 -4.391261975e+00 -4.334142775e+00 2.40 -3.990901385e+00 -4.411223741e+00 -4.222758579e+00 2.42 -3.949923419e+00 -4.422059294e+00 -4.273525881e+00 2.44 -3.905024258e+00 -4.337811865e+00 -4.313174050e+00 2.46 -3.856660410e+00 -4.338572199e+00 -4.342590066e+00 2.48 -3.805252015e+00 -4.331985069e+00 -4.362600457e+00 2.50 -3.751185498e+00 -4.318702936e+00 -4.373975313e+00 2.52 -3.694816031e+00 -4.217398407e+00 -4.377432038e+00 2.54 -3.636469815e+00 -4.197933538e+00 -4.373638829e+00 2.56 -3.576446200e+00 -4.173106715e+00 -4.363217933e+00 2.58 -3.515019651e+00 -4.143426708e+00 -4.318530475e+00 2.60 -3.452441575e+00 -4.109365763e+00 -4.298372766e+00 2.62 -3.388942014e+00 -4.071362057e+00 -4.273090667e+00 2.64 -3.324731222e+00 -4.029821990e+00 -4.243158451e+00 2.66 -3.260001122e+00 -3.985122320e+00 -4.209017237e+00 2.68 -3.194926667e+00 -3.937612156e+00 -4.171077157e+00 2.70 -3.109968355e+00 -3.887614818e+00 -4.129719393e+00 2.72 -3.045898640e+00 -3.835429574e+00 -4.085298071e+00 2.74 -2.981843189e+00 -3.760400983e+00 -4.038142039e+00 2.76 -2.873807238e+00 -3.705925288e+00 -3.988556522e+00 2.78 -2.812789201e+00 -3.649953358e+00 -3.936824671e+00 2.80 -2.751962996e+00 -3.592708085e+00 -3.883209011e+00 2.82 -2.671003460e+00 -3.534395127e+00 -3.741882519e+00 2.84 -2.612069513e+00 -3.475204072e+00 -3.690299267e+00 2.86 -2.553526730e+00 -3.415309529e+00 -3.637209456e+00 2.88 -2.495452156e+00 -3.354872146e+00 -3.582823332e+00 2.90 -2.437914802e+00 -3.294039561e+00 -3.527335454e+00 2.92 -2.380976262e+00 -3.232947292e+00 -3.470925727e+00 2.94 -2.324691280e+00 -3.171719565e+00 -3.413760358e+00 2.96 -2.269108280e+00 -3.110470093e+00 -3.355992760e+00 2.98 -2.214269856e+00 -3.049302800e+00 -3.297764391e+00 3.00 -2.160213234e+00 -2.988312498e+00 -3.239205547e+00 3.02 -2.106970692e+00 -2.927585522e+00 -3.180436100e+00 3.04 -2.054569961e+00 -2.867200325e+00 -3.121566190e+00 3.06 -2.003034587e+00 -2.807228022e+00 -3.062696876e+00 3.08 -1.952384278e+00 -2.747732918e+00 -3.003920739e+00 3.10 -1.902635213e+00 -2.688772985e+00 -2.945322456e+00 3.12 -1.853800345e+00 -2.630400313e+00 -2.886979333e+00 3.14 -1.805889670e+00 -2.572661536e+00 -2.828961798e+00 3.16 -1.737755939e+00 -2.487461253e+00 -2.729024798e+00 3.18 -1.692834248e+00 -2.432602898e+00 -2.674086929e+00 3.20 -1.648792229e+00 -2.378410513e+00 -2.619530808e+00 3.22 -1.605633516e+00 -2.324916727e+00 -2.565409970e+00 3.24 -1.563359722e+00 -2.272150226e+00 -2.511772818e+00 3.26 -1.521970624e+00 -2.220136044e+00 -2.458662975e+00 3.28 -1.481464329e+00 -2.168895832e+00 -2.406119610e+00 3.30 -1.441837432e+00 -2.033924289e+00 -2.354177756e+00 3.32 -1.403085159e+00 -1.988582561e+00 -2.302868595e+00 3.34 -1.365201506e+00 -1.943844199e+00 -2.252219732e+00 3.36 -1.328179357e+00 -1.899730657e+00 -2.202255449e+00 3.38 -1.252141264e+00 -1.856260580e+00 -2.152996944e+00 3.40 -1.218815977e+00 -1.813450008e+00 -2.104462556e+00 3.42 -1.186225421e+00 -1.771312568e+00 -2.056667972e+00 3.44 -1.154364067e+00 -1.729859662e+00 -2.009626425e+00 3.46 -1.123225532e+00 -1.689100626e+00 -1.963348877e+00 3.48 -1.092802661e+00 -1.649042898e+00 -1.917844188e+00 3.50 -1.040599807e+00 -1.609692158e+00 -1.873119282e+00 3.52 -1.012653785e+00 -1.571052471e+00 -1.829179292e+00 3.54 -9.853474789e-01 -1.533126415e+00 -1.786027702e+00 3.56 -9.586738090e-01 -1.495915202e+00 -1.743666480e+00 3.58 -9.326251698e-01 -1.459418791e+00 -1.702096201e+00 3.60 -9.071934923e-01 -1.423635990e+00 -1.661316158e+00 3.62 -8.823703000e-01 -1.388564561e+00 -1.621324473e+00 3.64 -8.498004959e-01 -1.354201306e+00 -1.495925081e+00 3.66 -8.265428496e-01 -1.320542154e+00 -1.461474079e+00 3.68 -8.038495046e-01 -1.287582242e+00 -1.427617226e+00 3.70 -7.817115772e-01 -1.255315990e+00 -1.394357210e+00 3.72 -7.601199649e-01 -1.223737167e+00 -1.361695610e+00 3.74 -7.390653824e-01 -1.192838959e+00 -1.329632984e+00 3.76 -7.185383945e-01 -1.162614025e+00 -1.298168952e+00 3.78 -6.985294463e-01 -1.133054557e+00 -1.267302270e+00 3.80 -6.790288910e-01 -1.104152331e+00 -1.237030902e+00 3.82 -6.600270156e-01 -1.075898754e+00 -1.207352088e+00 3.84 -6.415140644e-01 -1.048284906e+00 -1.178262404e+00 3.86 -6.234802601e-01 -9.780228827e-01 -1.149757825e+00 3.88 -6.059158236e-01 -9.535426121e-01 -1.121833774e+00 3.90 -5.888109918e-01 -9.295922434e-01 -1.094485176e+00 3.92 -5.721560338e-01 -9.061654547e-01 -1.067706509e+00 3.94 -5.559412656e-01 -8.832556309e-01 -1.041491840e+00 3.96 -5.401570638e-01 -8.608558981e-01 -1.015834875e+00 3.98 -5.247938769e-01 -8.389591554e-01 -9.907289934e-01 4.00 -5.098422370e-01 -8.175581044e-01 -9.661672853e-01 4.02 -4.952927691e-01 -7.966452767e-01 -9.421425846e-01 4.04 -4.811362000e-01 -7.762130597e-01 -9.186475007e-01 4.06 -4.673633658e-01 -7.562537196e-01 -8.956744474e-01 4.08 -4.539652191e-01 -7.367594240e-01 -8.732156702e-01 4.10 -4.409328352e-01 -7.177222616e-01 -8.512632713e-01 4.12 -4.282574166e-01 -6.991342609e-01 -8.298092328e-01 4.14 -4.159302988e-01 -6.809874080e-01 -8.088454386e-01 4.16 -4.039429531e-01 -6.632736619e-01 -7.883636942e-01 4.18 -3.922869910e-01 -6.459849694e-01 -7.683557453e-01 4.20 -3.809541660e-01 -6.291132788e-01 -7.488132950e-01 4.22 -3.699363770e-01 -6.126505517e-01 -7.297280196e-01 4.24 -3.592256691e-01 -5.965887751e-01 -7.110915832e-01 4.26 -3.488142358e-01 -5.809199709e-01 -6.928956508e-01 4.28 -3.386944195e-01 -5.656362060e-01 -6.751319011e-01 4.30 -3.288587127e-01 -5.507296009e-01 -6.577920379e-01 4.32 -3.192997577e-01 -5.361923369e-01 -6.408677998e-01 4.34 -3.100103471e-01 -5.220166641e-01 -6.243509704e-01 4.36 -3.009834235e-01 -5.081949070e-01 -6.082333866e-01 4.38 -2.922120788e-01 -4.947194709e-01 -5.925069467e-01 4.40 -2.836895537e-01 -4.815828464e-01 -5.771636172e-01 4.42 -2.754092366e-01 -4.687776149e-01 -5.621954398e-01 4.44 -2.673646626e-01 -4.562964517e-01 -5.475945369e-01 4.46 -2.595495123e-01 -4.441321305e-01 -5.118324003e-01 4.48 -2.519576103e-01 -4.322775258e-01 -4.987556154e-01 4.50 -2.445829234e-01 -4.207256164e-01 -4.859924193e-01 4.52 -2.374195594e-01 -4.094694871e-01 -4.735364466e-01 4.54 -2.304617649e-01 -3.985023311e-01 -4.613813922e-01 4.56 -2.237039238e-01 -3.878174515e-01 -4.495210151e-01 4.58 -2.171405548e-01 -3.774082630e-01 -4.379491426e-01 4.60 -2.107663099e-01 -3.672682923e-01 -4.266596736e-01 4.62 -2.045759721e-01 -3.573911798e-01 -4.156465818e-01 4.64 -1.985644533e-01 -3.477706793e-01 -4.049039185e-01 4.66 -1.927267919e-01 -3.384006589e-01 -3.944258151e-01 4.68 -1.870581508e-01 -3.292751012e-01 -3.842064851e-01 4.70 -1.815538151e-01 -3.203881030e-01 -3.742402259e-01 4.72 -1.762091900e-01 -3.117338750e-01 -3.645214205e-01 4.74 -1.710197980e-01 -3.033067417e-01 -3.550445390e-01 4.76 -1.659812772e-01 -2.951011408e-01 -3.458041392e-01 4.78 -1.610893786e-01 -2.871116225e-01 -3.367948682e-01 4.80 -1.563399639e-01 -2.793328489e-01 -3.280114622e-01 4.82 -1.517290033e-01 -2.717595926e-01 -3.194487479e-01 4.84 -1.472525731e-01 -2.643867364e-01 -3.111016423e-01 4.86 -1.429068533e-01 -2.572092718e-01 -3.029651530e-01 4.88 -1.386881256e-01 -2.502222980e-01 -2.950343782e-01 4.90 -1.345927711e-01 -2.434210206e-01 -2.873045068e-01 4.92 -1.306172677e-01 -2.368007504e-01 -2.797708179e-01 4.94 -1.267581884e-01 -2.303569020e-01 -2.724286807e-01 4.96 -1.230121988e-01 -2.240849922e-01 -2.652735540e-01 4.98 -1.193760549e-01 -2.179806391e-01 -2.583009854e-01 5.00 -1.158466014e-01 -2.120395601e-01 -2.515066113e-01 5.02 -1.124207689e-01 -2.062575704e-01 -2.448861555e-01 5.04 -1.090955725e-01 -2.006305821e-01 -2.384354289e-01 5.06 -1.058681091e-01 -1.951546016e-01 -2.321503287e-01 5.08 -1.027355561e-01 -1.898257291e-01 -2.260268369e-01 5.10 -9.969516897e-02 -1.846401561e-01 -2.200610203e-01 5.12 -9.674427920e-02 -1.795941644e-01 -2.142490287e-01 5.14 -9.388029278e-02 -1.746841242e-01 -2.085870942e-01 5.16 -7.106388656e-02 -1.699064925e-01 -2.030715304e-01 5.18 -6.902970496e-02 -1.652578114e-01 -1.976987306e-01 5.20 -6.705318134e-02 -1.607347070e-01 -1.924651674e-01 5.22 -6.513271735e-02 -1.563338869e-01 -1.873673912e-01 5.24 -6.326675676e-02 -1.520521393e-01 -1.824020288e-01 5.26 -6.145378449e-02 -1.478863312e-01 -1.775657827e-01 5.28 -5.969232567e-02 -1.438334067e-01 -1.728554297e-01 5.30 -5.798094463e-02 -1.398903853e-01 -1.682678195e-01 5.32 -5.631824404e-02 -1.360543609e-01 -1.637998737e-01 5.34 -5.470286394e-02 -1.323224993e-01 -1.594485844e-01 5.36 -5.313348086e-02 -1.286920378e-01 -1.552110131e-01 5.38 -5.160880691e-02 -1.251602826e-01 -1.510842894e-01 5.40 -5.012758894e-02 -1.217246079e-01 -1.470656098e-01 5.42 -4.868860767e-02 -1.183824545e-01 -1.431522363e-01 5.44 -4.729067683e-02 -1.151313277e-01 -1.393414954e-01 5.46 -4.593264238e-02 -9.042051785e-02 -1.356307768e-01 5.48 -4.461338166e-02 -8.801168795e-02 -1.320175319e-01 5.50 -4.333180262e-02 -8.566618209e-02 -1.284992731e-01 5.52 -4.208684306e-02 -8.338238146e-02 -1.250735722e-01 5.54 -4.087746984e-02 -8.115870610e-02 -1.217380592e-01 5.56 -3.970267813e-02 -7.899361416e-02 -1.184904212e-01 5.58 -3.856149075e-02 -7.688560108e-02 -1.153284016e-01 5.60 -3.745295737e-02 -7.483319879e-02 -1.122497982e-01 5.62 -3.637615386e-02 -7.283497502e-02 -1.092524625e-01 5.64 -1.272038482e-02 -7.088953244e-02 -1.063342987e-01 5.66 -1.237745274e-02 -6.899550801e-02 -1.034932620e-01 5.68 -1.204367626e-02 -6.715157216e-02 -1.007273582e-01 5.70 -1.171881581e-02 -6.535642813e-02 -9.803464219e-02 5.72 -1.140263780e-02 -6.360881119e-02 -9.541321678e-02 5.74 -1.109491454e-02 -6.190748796e-02 -9.286123194e-02 5.76 -1.079542404e-02 -6.025125573e-02 -9.037688360e-02 5.78 -1.050394995e-02 -5.863894175e-02 -8.795841263e-02 5.80 -1.022028135e-02 -5.706940254e-02 -8.560410381e-02 5.82 -9.944212707e-03 -5.554152327e-02 -8.331228490e-02 5.84 -9.675543693e-03 -5.405421706e-02 -8.108132559e-02 5.86 -9.414079082e-03 -5.260642438e-02 -7.890963657e-02 5.88 -9.159628631e-03 -5.119711238e-02 -7.679566858e-02 5.90 -8.912006958e-03 -4.982527431e-02 -7.473791147e-02 5.92 -8.671033432e-03 -4.848992888e-02 -7.273489332e-02 5.94 -8.436532054e-03 -4.719011966e-02 -7.078517950e-02 5.96 -8.208331349e-03 -4.592491455e-02 -6.888737182e-02 5.98 -7.986264257e-03 -4.469340512e-02 -6.704010768e-02 6.00 -7.770168027e-03 -4.349470613e-02 -6.524205919e-02