# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Pan-Z-Borovikov-V-Mendelev-M-I-Sansoz-F--Ag-Ni # implementation = 2018--Pan-Z--Ag-Ni--LAMMPS--ipr1 # composition = AgNi3 # 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 nan nan nan 1.02 2.006715123e+04 nan nan 1.04 1.822663793e+04 nan nan 1.06 1.652452617e+04 nan nan 1.08 1.494796385e+04 nan nan 1.10 1.348556959e+04 2.122350746e+04 nan 1.12 1.212718736e+04 nan nan 1.14 1.086374112e+04 1.779985853e+04 2.048108860e+04 1.16 9.687111584e+03 1.626333161e+04 1.880595304e+04 1.18 8.590004012e+03 1.483072556e+04 1.724399817e+04 1.20 7.565844006e+03 1.349358254e+04 1.578579723e+04 1.22 6.608713491e+03 1.224403119e+04 1.442288720e+04 1.24 5.713274447e+03 1.107499500e+04 1.314765479e+04 1.26 4.877311074e+03 9.980085468e+03 1.195322323e+04 1.28 4.133332369e+03 8.953511284e+03 1.083335938e+04 1.30 3.478167957e+03 7.990061966e+03 9.782394708e+03 1.32 2.896611982e+03 7.084998921e+03 8.795157739e+03 1.34 2.376555463e+03 6.233989275e+03 7.866922343e+03 1.36 1.908306063e+03 5.433086555e+03 6.993421315e+03 1.38 1.509002975e+03 4.687059435e+03 6.170761243e+03 1.40 1.193918107e+03 4.022992203e+03 5.395277847e+03 1.42 9.450975066e+02 3.431234724e+03 4.672856167e+03 1.44 7.484240964e+02 2.900402174e+03 4.028449784e+03 1.46 5.928451733e+02 2.421258210e+03 3.452380226e+03 1.48 4.696899280e+02 1.986265834e+03 2.934149304e+03 1.50 3.721421416e+02 1.602683565e+03 2.465197986e+03 1.52 2.948309364e+02 1.292663738e+03 2.038503751e+03 1.54 2.335243991e+02 1.043025848e+03 1.656698988e+03 1.56 1.849020036e+02 8.418549202e+02 1.344436848e+03 1.58 1.464150944e+02 6.796363324e+02 1.091498587e+03 1.60 1.159562883e+02 5.487508857e+02 8.864423675e+02 1.62 9.183996737e+01 4.430882039e+02 7.200743283e+02 1.64 7.273603980e+01 3.577469247e+02 5.850009456e+02 1.66 5.759229150e+01 2.888053868e+02 4.752706908e+02 1.68 4.557438330e+01 2.331221313e+02 3.860829196e+02 1.70 3.602168754e+01 1.881245720e+02 3.135572945e+02 1.72 2.841409568e+01 1.517393797e+02 2.545540414e+02 1.74 2.234469846e+01 1.222989339e+02 2.065336858e+02 1.76 1.749469567e+01 9.846300503e+01 1.674437816e+02 1.78 1.361252605e+01 7.915580546e+01 1.356225102e+02 1.80 1.049762646e+01 6.351447672e+01 1.097209060e+02 1.82 7.989311269e+00 5.084591019e+01 8.864159506e+01 1.84 5.959093744e+00 4.059177681e+01 7.148881492e+01 1.86 4.305774891e+00 3.230037006e+01 5.752958021e+01 1.88 2.950531841e+00 2.560412920e+01 4.616751154e+01 1.90 1.831289017e+00 2.020151515e+01 3.691772870e+01 1.92 9.101846876e-01 1.587186400e+01 2.942636827e+01 1.94 1.558832815e-01 1.242354930e+01 2.339057169e+01 1.96 -4.659828681e-01 9.670102989e+00 1.852066668e+01 1.98 -9.822559138e-01 7.461595524e+00 1.458496571e+01 2.00 -1.413683885e+00 5.678972320e+00 1.139873237e+01 2.02 -1.775361257e+00 4.228242415e+00 8.814578968e+00 2.04 -2.078210037e+00 3.036130975e+00 6.715403589e+00 2.06 -2.330743049e+00 2.046788294e+00 5.008500572e+00 2.08 -2.539912128e+00 1.218841751e+00 3.619863120e+00 2.10 -2.711860734e+00 5.206423627e-01 2.489991917e+00 2.12 -2.852247662e+00 -7.072876473e-02 1.570583538e+00 2.14 -2.966442335e+00 -5.722399193e-01 8.219076667e-01 2.16 -3.060557148e+00 -9.980458061e-01 2.108780763e-01 2.18 -3.141769417e+00 -1.360464022e+00 -2.904865887e-01 2.20 -3.213824483e+00 -1.670608164e+00 -7.063544575e-01 2.22 -3.282114206e+00 -1.938541030e+00 -1.057341446e+00 2.24 -3.348976879e+00 -2.172897273e+00 -1.360255551e+00 2.26 -3.410927206e+00 -2.380272551e+00 -1.627700252e+00 2.28 -3.467221996e+00 -2.565682944e+00 -1.869050806e+00 2.30 -3.520383914e+00 -2.733038030e+00 -2.091341131e+00 2.32 -3.571007595e+00 -2.885236769e+00 -2.298986513e+00 2.34 -3.617681759e+00 -3.024330545e+00 -2.493908830e+00 2.36 -3.657967762e+00 -3.151650258e+00 -2.676226482e+00 2.38 -3.689504350e+00 -3.267811682e+00 -2.844903995e+00 2.40 -3.710908177e+00 -3.373469150e+00 -2.998309912e+00 2.42 -3.721865999e+00 -3.471461862e+00 -3.136483634e+00 2.44 -3.723116383e+00 -3.561761283e+00 -3.259090883e+00 2.46 -3.716264294e+00 -3.639217188e+00 -3.364925400e+00 2.48 -3.703267343e+00 -3.701110696e+00 -3.455331695e+00 2.50 -3.685765572e+00 -3.748942784e+00 -3.533308944e+00 2.52 -3.664629466e+00 -3.784700142e+00 -3.598974752e+00 2.54 -3.640360211e+00 -3.809596882e+00 -3.650777277e+00 2.56 -3.610101133e+00 -3.824619965e+00 -3.690307748e+00 2.58 -3.572360013e+00 -3.830785187e+00 -3.721237779e+00 2.60 -3.528615868e+00 -3.829352091e+00 -3.746274182e+00 2.62 -3.480068345e+00 -3.821745415e+00 -3.766842612e+00 2.64 -3.427699227e+00 -3.809522590e+00 -3.783372399e+00 2.66 -3.372301578e+00 -3.794256462e+00 -3.795679958e+00 2.68 -3.314533696e+00 -3.777152138e+00 -3.803567796e+00 2.70 -3.254989378e+00 -3.758761419e+00 -3.807025254e+00 2.72 -3.194194400e+00 -3.739108048e+00 -3.806202508e+00 2.74 -3.132539406e+00 -3.717896003e+00 -3.801270381e+00 2.76 -3.070304789e+00 -3.694671922e+00 -3.792316585e+00 2.78 -3.007723737e+00 -3.667578525e+00 -3.779259608e+00 2.80 -2.945039833e+00 -3.633937332e+00 -3.761858016e+00 2.82 -2.882541152e+00 -3.593536799e+00 -3.739884892e+00 2.84 -2.820590004e+00 -3.547197828e+00 -3.713245230e+00 2.86 -2.759600326e+00 -3.495707831e+00 -3.681419246e+00 2.88 -2.699939533e+00 -3.439854239e+00 -3.641480404e+00 2.90 -2.641901023e+00 -3.380434188e+00 -3.594633363e+00 2.92 -2.585646414e+00 -3.318244052e+00 -3.542740510e+00 2.94 -2.531078915e+00 -3.254053106e+00 -3.487607592e+00 2.96 -2.477855866e+00 -3.188576461e+00 -3.430924801e+00 2.98 -2.425621529e+00 -3.122538466e+00 -3.374081383e+00 3.00 -2.374078571e+00 -3.056714244e+00 -3.317963136e+00 3.02 -2.323014518e+00 -2.991877676e+00 -3.262931852e+00 3.04 -2.272301515e+00 -2.928716629e+00 -3.208988215e+00 3.06 -2.221876065e+00 -2.867756130e+00 -3.155936897e+00 3.08 -2.171727263e+00 -2.809336610e+00 -3.103469914e+00 3.10 -2.121884583e+00 -2.753613540e+00 -3.051230173e+00 3.12 -2.072405861e+00 -2.700578612e+00 -2.998868361e+00 3.14 -2.023365857e+00 -2.650101297e+00 -2.946086314e+00 3.16 -1.974835863e+00 -2.601976030e+00 -2.892666617e+00 3.18 -1.926874811e+00 -2.555918186e+00 -2.838490042e+00 3.20 -1.879542178e+00 -2.511566962e+00 -2.783543536e+00 3.22 -1.832923612e+00 -2.468513739e+00 -2.727920144e+00 3.24 -1.787140966e+00 -2.426333256e+00 -2.671808605e+00 3.26 -1.742313052e+00 -2.384614853e+00 -2.615476195e+00 3.28 -1.698538777e+00 -2.342991583e+00 -2.559247089e+00 3.30 -1.655892142e+00 -2.301164641e+00 -2.503477644e+00 3.32 -1.614418680e+00 -2.258920037e+00 -2.448530007e+00 3.34 -1.574133389e+00 -2.216124737e+00 -2.394745457e+00 3.36 -1.535020196e+00 -2.172698022e+00 -2.342418881e+00 3.38 -1.497033076e+00 -2.128605975e+00 -2.291776050e+00 3.40 -1.460099104e+00 -2.083908357e+00 -2.242955939e+00 3.42 -1.424123100e+00 -2.038774079e+00 -2.196006701e+00 3.44 -1.388993599e+00 -1.993466006e+00 -2.150919128e+00 3.46 -1.354589991e+00 -1.948309228e+00 -2.107650658e+00 3.48 -1.320790537e+00 -1.903640364e+00 -2.066140995e+00 3.50 -1.287480888e+00 -1.859735075e+00 -2.026311680e+00 3.52 -1.254562680e+00 -1.816725586e+00 -1.988039554e+00 3.54 -1.221961725e+00 -1.774638144e+00 -1.951153956e+00 3.56 -1.189635229e+00 -1.733477429e+00 -1.915442598e+00 3.58 -1.157577360e+00 -1.693232396e+00 -1.880660513e+00 3.60 -1.125822406e+00 -1.653875791e+00 -1.846541557e+00 3.62 -1.094444995e+00 -1.615365852e+00 -1.812811889e+00 3.64 -1.063556522e+00 -1.577650844e+00 -1.779204753e+00 3.66 -1.033296843e+00 -1.540677095e+00 -1.745475807e+00 3.68 -1.003820305e+00 -1.504401261e+00 -1.711418182e+00 3.70 -9.752750916e-01 -1.468802162e+00 -1.676876342e+00 3.72 -9.477748138e-01 -1.433869967e+00 -1.641757717e+00 3.74 -9.213703100e-01 -1.399595956e+00 -1.606040896e+00 3.76 -8.960741382e-01 -1.365971854e+00 -1.569779441e+00 3.78 -8.718898886e-01 -1.332989606e+00 -1.533100147e+00 3.80 -8.488127862e-01 -1.300641213e+00 -1.496194307e+00 3.82 -8.268282696e-01 -1.268918616e+00 -1.459300595e+00 3.84 -8.059103197e-01 -1.237813632e+00 -1.422677461e+00 3.86 -7.860194985e-01 -1.207317947e+00 -1.386559461e+00 3.88 -7.671006496e-01 -1.177423154e+00 -1.351102308e+00 3.90 -7.490803239e-01 -1.148120818e+00 -1.316365021e+00 3.92 -7.318641172e-01 -1.119402582e+00 -1.282380892e+00 3.94 -7.153361228e-01 -1.091260269e+00 -1.249181625e+00 3.96 -6.993793546e-01 -1.063685984e+00 -1.216797118e+00 3.98 -6.838932271e-01 -1.036672189e+00 -1.185254842e+00 4.00 -6.687910593e-01 -1.010211722e+00 -1.154579052e+00 4.02 -6.539966375e-01 -9.842977464e-01 -1.124789877e+00 4.04 -6.394415501e-01 -9.589235856e-01 -1.095902352e+00 4.06 -6.250632122e-01 -9.340824271e-01 -1.067925457e+00 4.08 -6.108034991e-01 -9.097668481e-01 -1.040861235e+00 4.10 -5.966079175e-01 -8.859681334e-01 -1.014704063e+00 4.12 -5.824252300e-01 -8.626753506e-01 -9.894401753e-01 4.14 -5.682074592e-01 -8.398743579e-01 -9.650475220e-01 4.16 -5.539102328e-01 -8.175468451e-01 -9.414960661e-01 4.18 -5.394933522e-01 -7.956705672e-01 -9.187486342e-01 4.20 -5.249215599e-01 -7.742282533e-01 -8.967624287e-01 4.22 -5.101654479e-01 -7.532131146e-01 -8.754913311e-01 4.24 -4.952024196e-01 -7.326273041e-01 -8.548891227e-01 4.26 -4.800176667e-01 -7.124801361e-01 -8.349134599e-01 4.28 -4.646051131e-01 -6.927864555e-01 -8.155257109e-01 4.30 -4.489682764e-01 -6.735651173e-01 -7.966867634e-01 4.32 -4.331209950e-01 -6.548375402e-01 -7.783566222e-01 4.34 -4.170879720e-01 -6.366262972e-01 -7.604947344e-01 4.36 -4.009050902e-01 -6.189537057e-01 -7.430603272e-01 4.38 -3.846194664e-01 -6.018403764e-01 -7.260127617e-01 4.40 -3.682892618e-01 -5.853036920e-01 -7.093118895e-01 4.42 -3.519833119e-01 -5.693561847e-01 -6.929184147e-01 4.44 -3.357798189e-01 -5.540026405e-01 -6.767942553e-01 4.46 -3.197651436e-01 -5.392317160e-01 -6.609028946e-01 4.48 -3.040330650e-01 -5.250136513e-01 -6.452097194e-01 4.50 -2.886806791e-01 -5.113043722e-01 -6.296823367e-01 4.52 -2.738082112e-01 -4.980494629e-01 -6.142908664e-01 4.54 -2.595138716e-01 -4.851877174e-01 -5.990081836e-01 4.56 -2.458920974e-01 -4.726542776e-01 -5.838101253e-01 4.58 -2.330268240e-01 -4.603833272e-01 -5.686756518e-01 4.60 -2.209810278e-01 -4.483103870e-01 -5.535868999e-01 4.62 -2.097791472e-01 -4.363742348e-01 -5.385292223e-01 4.64 -1.994241311e-01 -4.245184398e-01 -5.234910687e-01 4.66 -1.898861366e-01 -4.126925305e-01 -5.084638156e-01 4.68 -1.811216135e-01 -4.008528035e-01 -4.934414699e-01 4.70 -1.730772116e-01 -3.889627902e-01 -4.784202291e-01 4.72 -1.656731287e-01 -3.769934123e-01 -4.633979010e-01 4.74 -1.588293389e-01 -3.649228523e-01 -4.483731818e-01 4.76 -1.524697610e-01 -3.527360618e-01 -4.333447580e-01 4.78 -1.464533133e-01 -3.404237528e-01 -4.183102927e-01 4.80 -1.406115070e-01 -3.279818293e-01 -4.032652810e-01 4.82 -1.349559554e-01 -3.154105000e-01 -3.882026428e-01 4.84 -1.296360021e-01 -3.027187298e-01 -3.731213110e-01 4.86 -1.247780936e-01 -2.899310859e-01 -3.580343848e-01 4.88 -1.203198846e-01 -2.770828958e-01 -3.429678791e-01 4.90 -1.161833789e-01 -2.642226193e-01 -3.279589953e-01 4.92 -1.120552536e-01 -2.514037333e-01 -3.130538115e-01 4.94 -1.074337269e-01 -2.386908284e-01 -2.983053795e-01 4.96 -1.020174478e-01 -2.261467203e-01 -2.837732493e-01 4.98 -9.565820303e-02 -2.138425291e-01 -2.695194777e-01 5.00 -8.830526594e-02 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