# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag3Ni # 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 3.831895374e+02 nan nan 0.92 3.512298513e+02 nan nan 0.94 3.226760138e+02 nan nan 0.96 2.970668901e+02 nan nan 0.98 2.740030818e+02 3.839720163e+02 nan 1.00 2.531507109e+02 3.544033441e+02 3.960165022e+02 1.02 2.342254042e+02 3.277678892e+02 3.659860044e+02 1.04 2.169844513e+02 3.036935380e+02 3.389017676e+02 1.06 2.012205732e+02 2.818607411e+02 3.143976332e+02 1.08 1.867579986e+02 2.619925768e+02 2.921568547e+02 1.10 1.734479720e+02 2.438492816e+02 2.719071067e+02 1.12 1.611609421e+02 2.272265093e+02 2.534081067e+02 1.14 1.497931346e+02 2.119484740e+02 2.364576839e+02 1.16 1.392506555e+02 1.978650284e+02 2.208785903e+02 1.18 1.294538737e+02 1.848422800e+02 2.065149169e+02 1.20 1.203366440e+02 1.727705139e+02 1.932356368e+02 1.22 1.118384060e+02 1.615530912e+02 1.809248683e+02 1.24 1.039085224e+02 1.511066201e+02 1.694835727e+02 1.26 9.650212596e+01 1.413572165e+02 1.588232592e+02 1.28 8.958070680e+01 1.322411079e+02 1.488714894e+02 1.30 8.311003299e+01 1.237052334e+02 1.395628161e+02 1.32 7.705893211e+01 1.157028904e+02 1.308415721e+02 1.34 7.139772901e+01 1.081919571e+02 1.226572174e+02 1.36 6.610260879e+01 1.011359816e+02 1.149661116e+02 1.38 6.115125788e+01 9.450369961e+01 1.077330935e+02 1.40 5.652224068e+01 8.826564049e+01 1.009240623e+02 1.42 5.219599097e+01 8.239539897e+01 9.451037771e+01 1.44 4.815377676e+01 7.687151791e+01 8.846587283e+01 1.46 4.437865342e+01 7.167329150e+01 8.276625351e+01 1.48 4.085624795e+01 6.678104432e+01 7.739160190e+01 1.50 3.757216032e+01 6.217795935e+01 7.232314922e+01 1.52 3.451204190e+01 5.784835769e+01 6.754333120e+01 1.54 3.166252025e+01 5.377675424e+01 6.303522538e+01 1.56 2.901153398e+01 4.994976175e+01 5.878395774e+01 1.58 2.654744373e+01 4.635428804e+01 5.477759480e+01 1.60 2.425865072e+01 4.297803111e+01 5.100333971e+01 1.62 2.213483824e+01 3.980766599e+01 4.744748327e+01 1.64 2.016600551e+01 3.683341940e+01 4.410073155e+01 1.66 1.834233859e+01 3.404557895e+01 4.095248288e+01 1.68 1.665496037e+01 3.143444693e+01 3.799248142e+01 1.70 1.509539334e+01 2.899037517e+01 3.521100169e+01 1.72 1.365512345e+01 2.670343516e+01 3.259910603e+01 1.74 1.225886855e+01 2.456630052e+01 3.014834675e+01 1.76 1.102173460e+01 2.257073828e+01 2.785029723e+01 1.78 9.865257461e+00 2.070889978e+01 2.569683448e+01 1.80 8.784306537e+00 1.897329921e+01 2.368073230e+01 1.82 7.775611396e+00 1.735679746e+01 2.179423780e+01 1.84 6.835899787e+00 1.585258720e+01 2.002983489e+01 1.86 5.961414477e+00 1.445384836e+01 1.838175545e+01 1.88 5.148599059e+00 1.312139426e+01 1.684369893e+01 1.90 4.394083371e+00 1.187759708e+01 1.540990449e+01 1.92 3.694544576e+00 1.074404237e+01 1.407451979e+01 1.94 3.046802888e+00 9.678923889e+00 1.278314150e+01 1.96 2.447823600e+00 8.679368846e+00 1.160381742e+01 1.98 1.894540193e+00 7.741917239e+00 1.051115387e+01 2.00 1.384374378e+00 6.863920384e+00 9.483177929e+00 2.02 9.150898393e-01 6.042472601e+00 8.516993662e+00 2.04 4.839002515e-01 5.274719783e+00 7.609758407e+00 2.06 8.822190493e-02 4.557903999e+00 6.758699255e+00 2.08 -2.742360917e-01 3.889353320e+00 5.961118561e+00 2.10 -6.055897522e-01 3.266362315e+00 5.214312473e+00 2.12 -9.081023448e-01 2.686660915e+00 4.515242256e+00 2.14 -1.183170186e+00 2.147886420e+00 3.862163657e+00 2.16 -1.432590805e+00 1.647603272e+00 3.252271934e+00 2.18 -1.658061217e+00 1.183709769e+00 2.683554856e+00 2.20 -1.860971897e+00 7.546386888e-01 2.154037936e+00 2.22 -2.042968346e+00 3.580929020e-01 1.661609436e+00 2.24 -2.205587582e+00 -7.942005302e-03 1.204248378e+00 2.26 -2.349926654e+00 -3.451579539e-01 7.803380139e-01 2.28 -2.477463137e+00 -6.552515122e-01 3.878861564e-01 2.30 -2.589416027e+00 -9.398346936e-01 2.486835503e-02 2.32 -2.686892522e+00 -1.200438075e+00 -3.103486633e-01 2.34 -2.770934059e+00 -1.438513970e+00 -6.193532049e-01 2.36 -2.842520050e+00 -1.655439564e+00 -9.036574389e-01 2.38 -2.902637886e+00 -1.852482786e+00 -1.164699956e+00 2.40 -2.952108011e+00 -2.030700207e+00 -1.403850497e+00 2.42 -2.991835557e+00 -2.191720742e+00 -1.622658701e+00 2.44 -3.022522928e+00 -2.336431840e+00 -1.822078367e+00 2.46 -3.044700201e+00 -2.465653060e+00 -2.003113899e+00 2.48 -3.059105553e+00 -2.580569059e+00 -2.166949212e+00 2.50 -3.066510374e+00 -2.682156383e+00 -2.315022691e+00 2.52 -3.067406927e+00 -2.771642519e+00 -2.447954506e+00 2.54 -3.062338586e+00 -2.849651813e+00 -2.566666075e+00 2.56 -3.051821696e+00 -2.916790789e+00 -2.672195749e+00 2.58 -3.036338626e+00 -2.973805595e+00 -2.765389934e+00 2.60 -3.016081264e+00 -3.021400356e+00 -2.847049462e+00 2.62 -2.991433030e+00 -3.060239149e+00 -2.917931769e+00 2.64 -2.963117502e+00 -3.090948030e+00 -2.978752979e+00 2.66 -2.931489786e+00 -3.114099841e+00 -3.030189915e+00 2.68 -2.897172747e+00 -3.130172716e+00 -3.072882035e+00 2.70 -2.860219552e+00 -3.139773808e+00 -3.107433289e+00 2.72 -2.820894714e+00 -3.143419127e+00 -3.134413859e+00 2.74 -2.779472524e+00 -3.141570724e+00 -3.154346456e+00 2.76 -2.736208520e+00 -3.134663094e+00 -3.167636200e+00 2.78 -2.691456295e+00 -3.123127899e+00 -3.175150545e+00 2.80 -2.645495081e+00 -3.107389676e+00 -3.177439450e+00 2.82 -2.598350048e+00 -3.087725941e+00 -3.174526382e+00 2.84 -2.550001099e+00 -3.063976340e+00 -3.166814311e+00 2.86 -2.500672994e+00 -3.036992699e+00 -3.154683347e+00 2.88 -2.450702049e+00 -3.007080248e+00 -3.138490948e+00 2.90 -2.400232091e+00 -2.974539591e+00 -3.118557100e+00 2.92 -2.349398936e+00 -2.939862273e+00 -3.094718711e+00 2.94 -2.298327573e+00 -2.903021919e+00 -3.067795250e+00 2.96 -2.247133370e+00 -2.864517077e+00 -3.038066399e+00 2.98 -2.196092188e+00 -2.824271259e+00 -3.005791587e+00 3.00 -2.145200051e+00 -2.782486995e+00 -2.971214307e+00 3.02 -2.094458500e+00 -2.739353016e+00 -2.934562969e+00 3.04 -2.043949647e+00 -2.695044417e+00 -2.896051698e+00 3.06 -1.993748062e+00 -2.649740259e+00 -2.855881085e+00 3.08 -1.943926263e+00 -2.603426525e+00 -2.814238966e+00 3.10 -1.894605494e+00 -2.556290591e+00 -2.771301010e+00 3.12 -1.845767546e+00 -2.508527667e+00 -2.727231510e+00 3.14 -1.797485424e+00 -2.460324965e+00 -2.682180985e+00 3.16 -1.749789589e+00 -2.411792363e+00 -2.636309054e+00 3.18 -1.702539957e+00 -2.363033113e+00 -2.589454769e+00 3.20 -1.655831101e+00 -2.314142806e+00 -2.541999045e+00 3.22 -1.609838449e+00 -2.265209729e+00 -2.494360078e+00 3.24 -1.564577745e+00 -2.216315340e+00 -2.446428648e+00 3.26 -1.520057182e+00 -2.167534644e+00 -2.398240239e+00 3.28 -1.476301517e+00 -2.118936503e+00 -2.349887851e+00 3.30 -1.433323508e+00 -2.070584008e+00 -2.301457619e+00 3.32 -1.391142048e+00 -2.022535156e+00 -2.253029216e+00 3.34 -1.349760069e+00 -1.974843013e+00 -2.204676283e+00 3.36 -1.309190000e+00 -1.927555137e+00 -2.156466700e+00 3.38 -1.269454306e+00 -1.880715604e+00 -2.108463375e+00 3.40 -1.230546408e+00 -1.834372643e+00 -2.060777680e+00 3.42 -1.192447860e+00 -1.788765855e+00 -2.013541464e+00 3.44 -1.155160866e+00 -1.743700817e+00 -1.966662476e+00 3.46 -1.118690975e+00 -1.699058729e+00 -1.920185544e+00 3.48 -1.082992736e+00 -1.654907290e+00 -1.874149823e+00 3.50 -1.048069843e+00 -1.611394831e+00 -1.828593252e+00 3.52 -1.013959316e+00 -1.568548456e+00 -1.783582872e+00 3.54 -9.806997108e-01 -1.526368838e+00 -1.739058011e+00 3.56 -9.481318931e-01 -1.484868211e+00 -1.694942007e+00 3.58 -9.159492990e-01 -1.444065011e+00 -1.651357454e+00 3.60 -8.844178740e-01 -1.403965207e+00 -1.608417129e+00 3.62 -8.538393909e-01 -1.364576828e+00 -1.566120594e+00 3.64 -8.244287153e-01 -1.325915790e+00 -1.524476934e+00 3.66 -7.963312744e-01 -1.287988038e+00 -1.483497332e+00 3.68 -7.696577214e-01 -1.250785204e+00 -1.443195813e+00 3.70 -7.448046329e-01 -1.214309565e+00 -1.403585788e+00 3.72 -7.213555259e-01 -1.178558487e+00 -1.364663571e+00 3.74 -6.985713959e-01 -1.143511905e+00 -1.326446847e+00 3.76 -6.759268774e-01 -1.109161329e+00 -1.288951813e+00 3.78 -6.530750344e-01 -1.075518686e+00 -1.252165466e+00 3.80 -6.298057102e-01 -1.042590781e+00 -1.216080152e+00 3.82 -6.060120568e-01 -1.010397014e+00 -1.180696293e+00 3.84 -5.816637789e-01 -9.787727621e-01 -1.146015942e+00 3.86 -5.567858837e-01 -9.476848853e-01 -1.111999623e+00 3.88 -5.314419344e-01 -9.172080599e-01 -1.078659861e+00 3.90 -5.056882142e-01 -8.874224553e-01 -1.046014293e+00 3.92 -4.794943984e-01 -8.584855440e-01 -1.014078531e+00 3.94 -4.532134447e-01 -8.305776754e-01 -9.829845323e-01 3.96 -4.271887856e-01 -8.038333751e-01 -9.522932720e-01 3.98 -4.016806162e-01 -7.785335129e-01 -9.220963598e-01 4.00 -3.768819000e-01 -7.544813472e-01 -8.925727627e-01 4.02 -3.529315505e-01 -7.314426841e-01 -8.638637898e-01 4.04 -3.299252508e-01 -7.090922615e-01 -8.361453373e-01 4.06 -3.079243275e-01 -6.870395384e-01 -8.095413258e-01 4.08 -2.869630130e-01 -6.649332063e-01 -7.841749588e-01 4.10 -2.670543610e-01 -6.425447023e-01 -7.603615977e-01 4.12 -2.481950583e-01 -6.197404925e-01 -7.376676979e-01 4.14 -2.303693283e-01 -5.964613866e-01 -7.156743597e-01 4.16 -2.135520774e-01 -5.727638950e-01 -6.940299278e-01 4.18 -1.977114241e-01 -5.490894443e-01 -6.723776232e-01 4.20 -1.828107240e-01 -5.249876751e-01 -6.504802049e-01 4.22 -1.688101779e-01 -5.006014347e-01 -6.281945276e-01 4.24 -1.556680977e-01 -4.761149588e-01 -6.054497700e-01 4.26 -1.433418999e-01 -4.517087534e-01 -5.822297223e-01 4.28 -1.317997922e-01 -4.275524246e-01 -5.585584610e-01 4.30 -1.215399801e-01 -4.038461446e-01 -5.344887757e-01 4.32 -1.130850555e-01 -3.807493106e-01 -5.099911095e-01 4.34 -1.051479701e-01 -3.583794181e-01 -4.852185086e-01 4.36 -9.771279687e-02 -3.368199281e-01 -4.604462884e-01 4.38 -9.074902717e-02 -3.161268104e-01 -4.358595566e-01 4.40 -8.422788268e-02 -2.963339696e-01 -4.116604261e-01 4.42 -7.812208580e-02 -2.774577382e-01 -3.880266058e-01 4.44 -7.240583888e-02 -2.595005787e-01 -3.650905959e-01 4.46 -6.705478965e-02 -2.424541349e-01 -3.429480627e-01 4.48 -6.204598662e-02 -2.263017364e-01 -3.216648202e-01 4.50 -5.735782676e-02 -2.110204415e-01 -3.012826301e-01 4.52 -5.297283553e-02 -1.965826990e-01 -2.818240124e-01 4.54 -4.908316332e-02 -1.829576958e-01 -2.632962281e-01 4.56 -4.573028347e-02 -1.701124451e-01 -2.456945709e-01 4.58 -4.258432697e-02 -1.580126523e-01 -2.290050657e-01 4.60 -3.963270208e-02 -1.466234025e-01 -2.132066824e-01 4.62 -3.686356474e-02 -1.359097025e-01 -1.982731449e-01 4.64 -3.426577794e-02 -1.258369024e-01 -1.841744017e-01 4.66 -3.182887252e-02 -1.163710159e-01 -1.708778110e-01 4.68 -2.954300919e-02 -1.074789607e-01 -1.583490937e-01 4.70 -2.739894228e-02 -9.912873547e-02 -1.465530950e-01 4.72 -2.538798523e-02 -9.128954070e-02 -1.354543824e-01 4.74 -2.350197777e-02 -8.393186008e-02 -1.250177155e-01 4.76 -2.173325493e-02 -7.702750780e-02 -1.152084080e-01 4.78 -2.007461732e-02 -7.055360729e-02 -1.059986871e-01 4.80 -1.851930331e-02 -6.447939645e-02 -9.736112828e-02 4.82 -1.706096267e-02 -5.999571156e-02 -9.071887701e-02 4.84 -1.569363186e-02 -5.590318269e-02 -8.450346144e-02 4.86 -1.441171068e-02 -5.205954820e-02 -7.866743931e-02 4.88 -1.320994013e-02 -4.845011690e-02 -7.318866499e-02 4.90 -1.208338176e-02 -4.506094123e-02 -6.804601415e-02 4.92 -1.102739820e-02 -4.187885989e-02 -6.321947837e-02 4.94 -1.003763499e-02 -3.889146236e-02 -5.869013366e-02 4.96 -9.101335741e-03 -3.608705251e-02 -5.444010301e-02 4.98 -8.410391880e-03 -3.345461291e-02 -5.045251576e-02 5.00 -7.795174228e-03 -3.098376983e-02 -4.671146510e-02 5.02 -7.217035500e-03 -2.866475926e-02 -4.320196448e-02 5.04 -6.673795242e-03 -2.648839400e-02 -3.990990352e-02 5.06 -6.163398169e-03 -2.444603149e-02 -3.682200357e-02 5.08 -5.683907112e-03 -2.252954331e-02 -3.392577436e-02 5.10 -5.233496374e-03 -2.073128594e-02 -3.120947171e-02 5.12 -4.810445494e-03 -1.904407316e-02 -2.866205681e-02 5.14 -4.413133278e-03 -1.746114943e-02 -2.627315648e-02 5.16 -4.040032165e-03 -1.597616462e-02 -2.403302498e-02 5.18 -3.689702942e-03 -1.458315023e-02 -2.193250776e-02 5.20 -3.360789763e-03 -1.327649694e-02 -1.996300695e-02 5.22 -3.052015461e-03 -1.205093343e-02 -1.811644871e-02 5.24 -2.762177054e-03 -1.090150614e-02 -1.638525177e-02 5.26 -2.490141534e-03 -9.823560302e-03 -1.476229792e-02 5.28 -2.234841894e-03 -8.812722114e-03 -1.324090413e-02 5.30 -1.995273412e-03 -7.864882016e-03 -1.181479642e-02 5.32 -1.770490104e-03 -6.976178880e-03 -1.047808506e-02 5.34 -1.559601358e-03 -6.142985008e-03 -9.225241076e-03 5.36 -1.361768777e-03 -5.361892127e-03 -8.051074250e-03 5.38 -1.176203207e-03 -4.629698250e-03 -6.950712522e-03 5.40 -1.002161945e-03 -3.943395378e-03 -5.919582700e-03 5.42 -8.389460635e-04 -3.300157781e-03 -4.953392093e-03 5.44 -6.858978922e-04 -2.697331015e-03 -4.048111313e-03 5.46 -5.423986532e-04 -2.132421638e-03 -3.199958189e-03 5.48 -4.078662353e-04 -1.603087580e-03 -2.405382720e-03 5.50 -2.817530938e-04 -1.107129098e-03 -1.661052945e-03 5.52 -1.635442389e-04 -6.424801460e-04 -9.638415095e-04 5.54 -5.204612123e-05 -2.044148140e-04 -3.066345270e-04 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00